(3R)-1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[2-(methylthio)anilino]ethyl]piperidin-1-ium-3-carboxamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCC[C@H](C2)C(=O)N

InChI

InChI=1S/C15H21N3O2S/c1-21-13-7-3-2-6-12(13)17-14(19)10-18-8-4-5-11(9-18)15(16)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,20)(H,17,19)/p+1/t11-/m1/s1