1-(1-methylpiperidin-4-yl)-5-phenyl-3H-1,2-benzodiazepin-2-ium 2-oxide

Systemtic Name: 1-(1-methylpiperidin-4-yl)-5-phenyl-3H-1,2-benzodiazepin-2-ium 2-oxide Openeye Name: 1-(1-methyl-4-piperidyl)-5-phenyl-3H-1,2-benzodiazepin-2-ium 2-oxide CAS Name: 1-(1-methyl-4-piperidinyl)-5-phenyl-3H-1,2-benzodiazepin-2-ium 2-oxide IUPAC Name: 1-(1-methylpiperidin-4-yl)-5-phenyl-3H-1,2-benzodiazepin-2-ium 2-oxide Traditional Name: 1-(1-methyl-4-piperidyl)-5-phenyl-3H-1,2-benzodiazepin-2-ium 2-oxide Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C3=CC=CC=C3C(=CC[N+]2=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)N2C3=CC=CC=C3C(=CC[N+]2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N3O/c1-22-14-11-18(12-15-22)24-21-10-6-5-9-20(21)19(13-16-23(24)25)17-7-3-2-4-8-17/h2-10,13,18H,11-12,14-16H2,1H3/q+1