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

Systemtic Name: 7-chloranyl-2-[1-hydroxyethyl(methyl)amino]-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-ol Openeye Name: 7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-ol CAS Name: 7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-ol IUPAC Name: 7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-ol Traditional Name: 7-chloro-2-[1-hydroxyethyl(methyl)amino]-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-3-ol Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1O)[O-])C3=CC=CC=C3)O

Isomeric SMILES

CC(N(C)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1O)[O-])C3=CC=CC=C3)O

InChI

InChI=1S/C18H18ClN3O3/c1-11(23)21(2)17-18(24)22(25)16(12-6-4-3-5-7-12)14-10-13(19)8-9-15(14)20-17/h3-11,18,23-24H,1-2H3