(3S)-1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(3-methylsulfanylpropyl)-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-(methylthio)propyl]-N-[4-(4-thiazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(3-methylsulfanylpropyl)-N-[4-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-(methylthio)propyl]-N-(4-thiazol-4-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C19H26N3OS2+ MolecularWeight: 376.55924

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=CSC=N3

Isomeric SMILES

CSCCC[NH+]1CCC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CSC=N3

InChI

InChI=1S/C19H25N3OS2/c1-24-11-3-10-22-9-2-4-16(12-22)19(23)21-17-7-5-15(6-8-17)18-13-25-14-20-18/h5-8,13-14,16H,2-4,9-12H2,1H3,(H,21,23)/p+1/t16-/m0/s1