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

Systemtic Name: ethyl (2R)-2-[4-(5-acetamidothiophen-2-yl)carbonylpiperazin-1-ium-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: ethyl (2R)-2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetate CAS Name: (2R)-2-[4-[(5-acetamido-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-2-(4-chlorophenyl)acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: (2R)-2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-ium-1-yl]-2-(4-chlorophenyl)acetic acid ethyl ester Formula: C21H25ClN3O4S+ MolecularWeight: 450.9589

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-3-29-21(28)19(15-4-6-16(22)7-5-15)24-10-12-25(13-11-24)20(27)17-8-9-18(30-17)23-14(2)26/h4-9,19H,3,10-13H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1