3-chloranyl-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide

Systemtic Name: 3-chloranyl-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Openeye Name: 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide CAS Name: 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide IUPAC Name: 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Traditional Name: 3-chloro-12,13-dimethoxy-6-(4-phenylphenyl)-9,10-dihydro-7H-isoquinolino[2,1-d][1,4]benzodiazepin-8-ium bromide Formula: C31H26BrClN2O2 MolecularWeight: 573.90734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)C6=CC=CC=C6)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=C(C=C4)Cl)N=C(C3)C5=CC=C(C=C5)C6=CC=CC=C6)OC.[Br-]

InChI

InChI=1S/C31H26ClN2O2.BrH/c1-35-29-16-23-14-15-34-19-28(22-10-8-21(9-11-22)20-6-4-3-5-7-20)33-27-17-24(32)12-13-25(27)31(34)26(23)18-30(29)36-2;/h3-13,16-18H,14-15,19H2,1-2H3;1H/q+1;/p-1