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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=C(C=CS3)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=C(C=CS3)C

InChI

InChI=1S/C20H26N2OS/c1-15-3-5-17(6-4-15)13-21-20(23)18-7-10-22(11-8-18)14-19-16(2)9-12-24-19/h3-6,9,12,18H,7-8,10-11,13-14H2,1-2H3,(H,21,23)/p+1