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

Systemtic Name: N-butyl-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-butyl-1-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-butyl-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-butyl-1-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C18H29N2O+ MolecularWeight: 289.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C18H28N2O/c1-3-4-11-19-18(21)17-9-12-20(13-10-17)14-16-7-5-15(2)6-8-16/h5-8,17H,3-4,9-14H2,1-2H3,(H,19,21)/p+1