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

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(5-ethanoylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetate CAS Name: (2R)-2-[4-[(5-acetyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: (2R)-2-[4-(5-acetylthiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C21H24ClN2O4S+ MolecularWeight: 435.94426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=C(S3)C(=O)C

InChI

InChI=1S/C21H23ClN2O4S/c1-3-28-21(27)19(15-4-6-16(22)7-5-15)23-10-12-24(13-11-23)20(26)18-9-8-17(29-18)14(2)25/h4-9,19H,3,10-13H2,1-2H3/p+1/t19-/m1/s1