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

Systemtic Name: 1-[(7-chloranyl-3-methoxy-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol Openeye Name: 1-[(7-chloro-3-methoxy-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol CAS Name: 1-[(7-chloro-3-methoxy-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]ethanol IUPAC Name: 1-[(7-chloro-3-methoxy-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methylamino]ethanol Traditional Name: 1-[(7-chloro-3-methoxy-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-methyl-amino]ethanol Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1OC)[O-])C3=CC=CC=C3)O

Isomeric SMILES

CC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1OC)[O-])C3=CC=CC=C3)O

InChI

InChI=1S/C19H20ClN3O3/c1-12(24)22(2)18-19(26-3)23(25)17(13-7-5-4-6-8-13)15-11-14(20)9-10-16(15)21-18/h4-12,19,24H,1-3H3