2-(3,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C17H27N2OS+ MolecularWeight: 307.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H26N2OS/c1-4-19-9-7-15(8-10-19)18-17(20)12-21-16-6-5-13(2)14(3)11-16/h5-6,11,15H,4,7-10,12H2,1-3H3,(H,18,20)/p+1