1-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propan-1-ol hydrochloride

Systemtic Name: 1-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propan-1-ol hydrochloride Openeye Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propan-1-ol hydrochloride CAS Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]-1-propanol hydrochloride IUPAC Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]propan-1-ol hydrochloride Traditional Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]propan-1-ol hydrochloride Formula: C19H21Cl2N3O2 MolecularWeight: 394.29494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)O.Cl

Isomeric SMILES

CCC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C19H20ClN3O2.ClH/c1-3-18(24)22(2)17-12-23(25)19(13-7-5-4-6-8-13)15-11-14(20)9-10-16(15)21-17;/h4-11,18,24H,3,12H2,1-2H3;1H