1-(2-methylphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride

Systemtic Name: 1-(2-methylphenyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Openeye Name: 1-(o-tolyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride CAS Name: 1-(2-methylphenyl)-3-(1-piperidin-1-iumyl)-1-propanone chloride IUPAC Name: 1-(2-methylphenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride Traditional Name: 1-(o-tolyl)-3-piperidin-1-ium-1-yl-propan-1-one chloride Formula: C15H22ClNO MolecularWeight: 267.79428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)CC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C15H21NO.ClH/c1-13-7-3-4-8-14(13)15(17)9-12-16-10-5-2-6-11-16;/h3-4,7-8H,2,5-6,9-12H2,1H3;1H