N-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-ethyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-ethyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-N-ethyl-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-N-ethyl-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H27ClN3O2S+ MolecularWeight: 420.97598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C21H26ClN3O2S/c1-3-24(13-20(26)23-17-12-16(22)9-8-15(17)2)21(27)14-25-10-4-6-18(25)19-7-5-11-28-19/h5,7-9,11-12,18H,3-4,6,10,13-14H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1