3-(4-chlorophenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-chlorophenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(4-chlorophenyl)-4-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-chlorophenyl)-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(4-chlorophenyl)-2-keto-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN2O3/c1-14-17-7-8-19(26)18(13-25-11-9-24(2)10-12-25)21(17)28-22(27)20(14)15-3-5-16(23)6-4-15/h3-8,26H,9-13H2,1-2H3