7-chloranyl-1,1,3-trimethyl-3-oxidanyl-5-phenyl-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: 7-chloranyl-1,1,3-trimethyl-3-oxidanyl-5-phenyl-1,4-benzodiazepin-1-ium-2-one Openeye Name: 7-chloro-3-hydroxy-1,1,3-trimethyl-5-phenyl-1,4-benzodiazepin-1-ium-2-one CAS Name: 7-chloro-3-hydroxy-1,1,3-trimethyl-5-phenyl-1,4-benzodiazepin-1-ium-2-one IUPAC Name: 7-chloro-3-hydroxy-1,1,3-trimethyl-5-phenyl-1,4-benzodiazepin-1-ium-2-one Traditional Name: 7-chloro-3-hydroxy-1,1,3-trimethyl-5-phenyl-1,4-benzodiazepin-1-ium-2-one Formula: C18H18ClN2O2+ MolecularWeight: 329.80072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)[N+](C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)(C)C)O

Isomeric SMILES

CC1(C(=O)[N+](C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)(C)C)O

InChI

InChI=1S/C18H18ClN2O2/c1-18(23)17(22)21(2,3)15-10-9-13(19)11-14(15)16(20-18)12-7-5-4-6-8-12/h4-11,23H,1-3H3/q+1