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

Systemtic Name: [7-chloranyl-2-[1-hydroxyethyl(methyl)amino]-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-yl] ethanoate Openeye Name: [7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-yl] acetate CAS Name: acetic acid [7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-yl] ester IUPAC Name: [7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-yl] acetate Traditional Name: acetic acid [7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-yl] ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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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)C)[O-])C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4/c1-12(25)23(3)19-20(28-13(2)26)24(27)18(14-7-5-4-6-8-14)16-11-15(21)9-10-17(16)22-19/h4-12,20,25H,1-3H3