methyl (2R)-2-(2-chlorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)carbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-phenylthiazole-4-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[oxo-(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(2-phenylthiazole-4-carbonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C23H23ClN3O3S+ MolecularWeight: 456.96502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H22ClN3O3S/c1-30-23(29)20(17-9-5-6-10-18(17)24)26-11-13-27(14-12-26)22(28)19-15-31-21(25-19)16-7-3-2-4-8-16/h2-10,15,20H,11-14H2,1H3/p+1/t20-/m1/s1