2-(4-acetamidophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-17(26)24-20-8-10-21(11-9-20)28-16-22(27)23-14-18-4-6-19(7-5-18)15-25-12-2-3-13-25/h4-11H,2-3,12-16H2,1H3,(H,23,27)(H,24,26)/p+1