(3-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone

Systemtic Name: (3-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone Openeye Name: m-tolyl-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone CAS Name: (3-methylphenyl)-[4-(4-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: (3-methylphenyl)-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone Traditional Name: m-tolyl-[4-(piperidin-1-ium-4-ylmethyl)phenyl]methanone Formula: C20H24NO+ MolecularWeight: 294.41066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)CC3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)CC3CC[NH2+]CC3

InChI

InChI=1S/C20H23NO/c1-15-3-2-4-19(13-15)20(22)18-7-5-16(6-8-18)14-17-9-11-21-12-10-17/h2-8,13,17,21H,9-12,14H2,1H3/p+1