4-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[[3-(o-tolyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[[3-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[3-(o-tolyl)benzyl]-1,4-diazepan-1-ium-5-one Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(=O)N(CC3)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(=O)N(CC3)C

InChI

InChI=1S/C20H24N2O/c1-16-6-3-4-9-19(16)18-8-5-7-17(14-18)15-22-11-10-20(23)21(2)12-13-22/h3-9,14H,10-13,15H2,1-2H3/p+1