7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: 7-chloranyl-N-methyl-4-oxidanyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 1,5-dimethyl-2-phenyl-4-propan-2-yl-pyrazol-3-one; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 4-isopropyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 1,5-dimethyl-2-phenyl-4-propan-2-yl-3-pyrazolone; 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester; bromide IUPAC Name: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine; 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one; (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: (7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-ylidene)-methyl-amine; 2-hydroxy-2,2-diphenyl-acetic acid (1-methylquinuclidin-1-ium-3-yl) ester; 4-isopropyl-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; bromide Formula: C52H58BrClN6O5 MolecularWeight: 962.41112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C.CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O.C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C22H26NO3.C16H14ClN3O.C14H18N2O.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12;/h2-11,17,20,25H,12-16H2,1H3;2-9,21H,10H2,1H3;5-10H,1-4H3;1H/q+1;;;/p-1