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

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-methoxyphenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H24N2O2S/c1-24-18-8-10-19(11-9-18)25-15-20(23)21-17-6-4-16(5-7-17)14-22-12-2-3-13-22/h4-11H,2-3,12-15H2,1H3,(H,21,23)/p+1