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

Systemtic Name: N-(3-methylbutyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopentyl-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-isoamyl-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C19H31N2O+ MolecularWeight: 303.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCCC(C)C

InChI

InChI=1S/C19H30N2O/c1-15(2)7-10-20-19(22)18-8-11-21(12-9-18)14-17-6-4-5-16(3)13-17/h4-6,13,15,18H,7-12,14H2,1-3H3,(H,20,22)/p+1