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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(5-ethanoylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetate CAS Name: (2R)-2-[4-[(5-acetyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: (2R)-2-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C20H22ClN2O4S+ MolecularWeight: 421.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3Cl)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3Cl)C(=O)OC

InChI

InChI=1S/C20H21ClN2O4S/c1-13(24)16-7-8-17(28-16)19(25)23-11-9-22(10-12-23)18(20(26)27-2)14-5-3-4-6-15(14)21/h3-8,18H,9-12H2,1-2H3/p+1/t18-/m1/s1