(2R)-N-(3-methylsulfanylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(3-methylsulfanylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(3-methylsulfanylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[3-(methylthio)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(3-methylsulfanylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[3-(methylthio)phenyl]piperidin-1-ium-2-carboxamide Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCC[NH2+]2

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c1-17-11-6-4-5-10(9-11)15-13(16)12-7-2-3-8-14-12/h4-6,9,12,14H,2-3,7-8H2,1H3,(H,15,16)/p+1/t12-/m1/s1