ethyl 5-azanyl-4-cyano-3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O4S/c1-4-28-21(25)19-16(15(11-22)20(23)29-19)12-24-9-5-6-17(24)14-8-7-13(26-2)10-18(14)27-3/h7-8,10,17H,4-6,9,12,23H2,1-3H3/p+1/t17-/m1/s1