(3S)-N-(3-methylsulfanylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-methylsulfanylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-methylsulfanylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(methylthio)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-methylsulfanylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[3-(methylthio)phenyl]piperidin-1-ium-3-carboxamide Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCC[NH2+]C2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C13H18N2OS/c1-17-12-6-2-5-11(8-12)15-13(16)10-4-3-7-14-9-10/h2,5-6,8,10,14H,3-4,7,9H2,1H3,(H,15,16)/p+1/t10-/m0/s1