2-(2,5-dimethylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethylphenyl)sulfanyl-acetamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2,5-dimethylphenyl)thio]acetamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-17-8-9-18(2)21(14-17)26-16-22(25)23-20-10-12-24(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,23,25)/p+1