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

Systemtic Name: 1-[(7-bromanyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol hydrochloride Openeye Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol hydrochloride CAS Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]ethanol hydrochloride IUPAC Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]ethanol hydrochloride Traditional Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol hydrochloride Formula: C18H19BrClN3O2 MolecularWeight: 424.71936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2.ClH/c1-12(23)21(2)17-11-22(24)18(13-6-4-3-5-7-13)15-10-14(19)8-9-16(15)20-17;/h3-10,12,23H,11H2,1-2H3;1H