N-[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(5-ethyl-3-p-anisoyl-2-thienyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCCC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCCC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O3S/c1-3-16-12-17(19(24)14-6-8-15(25-2)9-7-14)20(26-16)21-18(23)13-22-10-4-5-11-22/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,21,23)/p+1