(3S)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C17H25N3O2S/c1-19(10-13-5-7-15(23-2)8-6-13)16(21)12-20-9-3-4-14(11-20)17(18)22/h5-8,14H,3-4,9-12H2,1-2H3,(H2,18,22)/p+1/t14-/m0/s1