6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-(4-methyl-1-piperidyl)-N-(2-thienylmethyl)pyridin-1-ium-3-carboxamide CAS Name: 6-(4-methyl-1-piperidinyl)-N-(thiophen-2-ylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-(4-methylpiperidino)-N-(2-thenyl)pyridin-1-ium-3-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c1-13-6-8-20(9-7-13)16-5-4-14(11-18-16)17(21)19-12-15-3-2-10-22-15/h2-5,10-11,13H,6-9,12H2,1H3,(H,19,21)/p+1