[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-(3-pyridylmethyl)ammonium CAS Name: [1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-(3-pyridylmethyl)ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH2+]CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)C[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C20H27N3/c1-17-5-2-3-7-20(17)16-23-11-8-18(9-12-23)13-22-15-19-6-4-10-21-14-19/h2-7,10,14,18,22H,8-9,11-13,15-16H2,1H3/p+2