6-[(3S)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H21N3OS/c1-13-4-2-8-20(12-13)16-7-6-14(10-18-16)17(21)19-11-15-5-3-9-22-15/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,19,21)/p+1/t13-/m0/s1