[2,2-dimethyl-3-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[[1-[4-(methylthio)benzyl]piperidin-1-ium-4-carbonyl]amino]propyl]-dimethyl-ammonium Formula: C21H37N3OS+2 MolecularWeight: 379.60298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)SC)C[NH+](C)C

InChI

InChI=1S/C21H35N3OS/c1-21(2,16-23(3)4)15-22-20(25)18-10-12-24(13-11-18)14-17-6-8-19(26-5)9-7-17/h6-9,18H,10-16H2,1-5H3,(H,22,25)/p+2