(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-carboxamide Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS/c1-18-13-6-4-11(5-7-13)9-16-8-2-3-12(10-16)14(15)17/h4-7,12H,2-3,8-10H2,1H3,(H2,15,17)/p+1/t12-/m0/s1