methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-ethyl-5-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-ethyl-5-methyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-ethyl-5-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[(4-ethyl-5-methyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-ethyl-5-methyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3Cl)C(=O)OC)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC)C

InChI

InChI=1S/C21H25ClN2O3S/c1-4-15-13-18(28-14(15)2)20(25)24-11-9-23(10-12-24)19(21(26)27-3)16-7-5-6-8-17(16)22/h5-8,13,19H,4,9-12H2,1-3H3/p+1/t19-/m1/s1