N-methyl-1-[(3-methylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-methyl-1-[(3-methylphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-methyl-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-methyl-1-[(3-methylphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-methyl-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C22H29N2O+ MolecularWeight: 337.47846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-18-7-6-10-20(15-18)17-24-13-11-21(12-14-24)22(25)23(2)16-19-8-4-3-5-9-19/h3-10,15,21H,11-14,16-17H2,1-2H3/p+1