(3-methylphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-methylphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: m-tolylmethyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-methylphenyl)methyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-methylphenyl)methyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-methylbenzyl)-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC=CC(=C2)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC=CC(=C2)C

InChI

InChI=1S/C16H26N2/c1-3-9-18-10-7-16(8-11-18)17-13-15-6-4-5-14(2)12-15/h4-6,12,16-17H,3,7-11,13H2,1-2H3/p+2