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

Systemtic Name: 1-[(7-chloranyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-prop-2-enyl-amino]ethanol hydrochloride Openeye Name: 1-[allyl-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride CAS Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-prop-2-enylamino]ethanol hydrochloride IUPAC Name: 1-[(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-prop-2-enylamino]ethanol hydrochloride Traditional Name: 1-[allyl-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)amino]ethanol hydrochloride Formula: C20H21Cl2N3O2 MolecularWeight: 406.30564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2.ClH/c1-3-11-23(14(2)25)19-13-24(26)20(15-7-5-4-6-8-15)17-12-16(21)9-10-18(17)22-19;/h3-10,12,14,25H,1,11,13H2,2H3;1H