(2-methylphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (2-methylphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: o-tolylmethyl(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: (2-methylphenyl)methyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: (2-methylphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: (2-methylbenzyl)-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C16H26N2/c1-15-8-3-4-9-16(15)14-17-10-7-13-18-11-5-2-6-12-18/h3-4,8-9,17H,2,5-7,10-14H2,1H3/p+2