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

Systemtic Name: 1-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-(2-hydroxyethyl)amino]ethanol hydrochloride Openeye Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-(2-hydroxyethyl)amino]ethanol hydrochloride CAS Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-(2-hydroxyethyl)amino]ethanol hydrochloride IUPAC Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-(2-hydroxyethyl)amino]ethanol hydrochloride Traditional Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-(2-hydroxyethyl)amino]ethanol hydrochloride Formula: C19H21Cl2N3O3 MolecularWeight: 410.29434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3.ClH/c1-13(25)22(9-10-24)18-12-23(26)19(14-5-3-2-4-6-14)16-11-15(20)7-8-17(16)21-18;/h2-8,11,13,24-25H,9-10,12H2,1H3;1H