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

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(p-phenetylthio)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-2-26-20-9-11-21(12-10-20)27-17-22(25)23-15-18-7-3-4-8-19(18)16-24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-17H2,1H3,(H,23,25)/p+1