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

Systemtic Name: 1-[(7-bromanyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol Openeye Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol CAS Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]ethanol IUPAC Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]ethanol Traditional Name: 1-[(7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2/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