N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[(3,4-diethoxyanilino)-oxomethyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[(3,4-diethoxyphenyl)carbamoyl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCCC2C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3)OCC

InChI

InChI=1S/C21H27N3O4S/c1-3-27-17-10-9-15(13-18(17)28-4-2)22-21(26)23-20(25)14-24-11-5-7-16(24)19-8-6-12-29-19/h6,8-10,12-13,16H,3-5,7,11,14H2,1-2H3,(H2,22,23,25,26)/p+1/t16-/m1/s1