1-(1,4-diazepan-4-ium-1-yl)-2-(2-methylphenyl)ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-methylphenyl)ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(o-tolyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-methylphenyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(2-methylphenyl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(o-tolyl)ethanone Formula: C14H21N2O+ MolecularWeight: 233.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1CC(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H20N2O/c1-12-5-2-3-6-13(12)11-14(17)16-9-4-7-15-8-10-16/h2-3,5-6,15H,4,7-11H2,1H3/p+1