2-[(2S)-2-methylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CS3

Isomeric SMILES

C[C@H]1CCCCN1C2=C(C=CC=[NH+]2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c1-13-6-2-3-10-20(13)16-15(8-4-9-18-16)17(21)19-12-14-7-5-11-22-14/h4-5,7-9,11,13H,2-3,6,10,12H2,1H3,(H,19,21)/p+1/t13-/m0/s1