N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-carboxamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCCC(C3)O

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC[C@@H](C3)O

InChI

InChI=1S/C17H22N4O2S/c1-2-13-11-24-16(20-13)9-19-17(23)12-5-6-15(18-8-12)21-7-3-4-14(22)10-21/h5-6,8,11,14,22H,2-4,7,9-10H2,1H3,(H,19,23)/p+1/t14-/m0/s1