2-(2-methylphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(o-tolylsulfanyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(o-tolylthio)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

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