1-[(3-methylphenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(1S)-1-methylbutyl]-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-N-[(2S)-pentan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-N-[(2S)-pentan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-methylbenzyl)-N-[(1S)-1-methylbutyl]piperidin-1-ium-4-carboxamide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)C1CC[NH+](CC1)CC2=CC=CC(=C2)C

InChI

InChI=1S/C19H30N2O/c1-4-6-16(3)20-19(22)18-9-11-21(12-10-18)14-17-8-5-7-15(2)13-17/h5,7-8,13,16,18H,4,6,9-12,14H2,1-3H3,(H,20,22)/p+1/t16-/m0/s1