methyl-(1-methylpiperidin-1-ium-4-yl)-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H27N3OS+2 MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C16H25N3OS/c1-18-10-8-13(9-11-18)19(2)12-16(20)17-14-6-4-5-7-15(14)21-3/h4-7,13H,8-12H2,1-3H3,(H,17,20)/p+2