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

Systemtic Name: 4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3-phenyl-chromen-7-olate Openeye Name: 4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-3-phenyl-chromen-7-olate CAS Name: 4-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-3-phenyl-1-benzopyran-7-olate IUPAC Name: 4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-3-phenylchromen-7-olate Traditional Name: 2-keto-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-phenyl-chromen-7-olate Formula: C22H24N2O3 MolecularWeight: 364.43756

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-15-17-8-9-19(25)18(14-24-12-10-23(2)11-13-24)21(17)27-22(26)20(15)16-6-4-3-5-7-16/h3-9,25H,10-14H2,1-2H3