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

Systemtic Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-oxidanylidenechromen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-chlorophenyl)-2-[4-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-(2-chlorophenyl)-2-[4-(4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-chlorophenyl)-2-[4-(4-ketochromene-2-carbonyl)piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C23H22ClN2O5+ MolecularWeight: 441.88418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H21ClN2O5/c1-30-23(29)21(15-6-2-4-8-17(15)24)25-10-12-26(13-11-25)22(28)20-14-18(27)16-7-3-5-9-19(16)31-20/h2-9,14,21H,10-13H2,1H3/p+1/t21-/m1/s1