[7-chloranyl-2-[hydroxymethyl(methyl)amino]-4-oxidanidyl-5-phenyl-1,4-benzodiazepin-4-ium-1-yl]methanol

Systemtic Name: [7-chloranyl-2-[hydroxymethyl(methyl)amino]-4-oxidanidyl-5-phenyl-1,4-benzodiazepin-4-ium-1-yl]methanol Openeye Name: [7-chloro-2-[hydroxymethyl(methyl)amino]-4-oxido-5-phenyl-1,4-benzodiazepin-4-ium-1-yl]methanol CAS Name: [7-chloro-2-[hydroxymethyl(methyl)amino]-4-oxido-5-phenyl-1,4-benzodiazepin-4-ium-1-yl]methanol IUPAC Name: [7-chloro-2-[hydroxymethyl(methyl)amino]-4-oxido-5-phenyl-1,4-benzodiazepin-4-ium-1-yl]methanol Traditional Name: [7-chloro-2-[methyl(methylol)amino]-4-oxido-5-phenyl-1,4-benzodiazepin-4-ium-1-yl]methanol Formula: C18H18ClN3O3 MolecularWeight: 359.80682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CO)C1=C[N+](=C(C2=C(N1CO)C=CC(=C2)Cl)C3=CC=CC=C3)[O-]

Isomeric SMILES

CN(CO)C1=C[N+](=C(C2=C(N1CO)C=CC(=C2)Cl)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H18ClN3O3/c1-20(11-23)17-10-22(25)18(13-5-3-2-4-6-13)15-9-14(19)7-8-16(15)21(17)12-24/h2-10,23-24H,11-12H2,1H3