ethyl (2R)-2-(4-chlorophenyl)-2-[4-(6-methyl-4-oxidanylidene-chromen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(6-methyl-4-oxidanylidene-chromen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(6-methyl-4-oxo-chromene-2-carbonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-[4-[(6-methyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(6-methyl-4-oxochromene-2-carbonyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(4-keto-6-methyl-chromene-2-carbonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C25H26ClN2O5+ MolecularWeight: 469.93734

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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(=O)C4=C(O3)C=CC(=C4)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)C

InChI

InChI=1S/C25H25ClN2O5/c1-3-32-25(31)23(17-5-7-18(26)8-6-17)27-10-12-28(13-11-27)24(30)22-15-20(29)19-14-16(2)4-9-21(19)33-22/h4-9,14-15,23H,3,10-13H2,1-2H3/p+1/t23-/m1/s1