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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-N-p-anisyl-piperidin-1-ium-4-carboxamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H26N2O2S/c1-15-9-12-25-19(15)14-22-10-7-17(8-11-22)20(23)21-13-16-3-5-18(24-2)6-4-16/h3-6,9,12,17H,7-8,10-11,13-14H2,1-2H3,(H,21,23)/p+1