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

Systemtic Name: 1-[[7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-yl]-methyl-amino]ethanol Openeye Name: 1-[[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-methyl-amino]ethanol CAS Name: 1-[[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-methylamino]ethanol IUPAC Name: 1-[[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-methylamino]ethanol Traditional Name: 1-[[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-methyl-amino]ethanol Formula: C18H17ClFN3O2 MolecularWeight: 361.797883

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3F)O

Isomeric SMILES

CC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3F)O

InChI

InChI=1S/C18H17ClFN3O2/c1-11(24)22(2)17-10-23(25)18(13-5-3-4-6-15(13)20)14-9-12(19)7-8-16(14)21-17/h3-9,11,24H,10H2,1-2H3