2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Openeye Name: 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzamide IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C20H31N3O2S/c1-16-9-6-7-13-23(16)14-8-12-21-20(25)17-10-4-5-11-18(17)26-15-19(24)22(2)3/h4-5,10-11,16H,6-9,12-15H2,1-3H3,(H,21,25)/p+1/t16-/m0/s1