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

Systemtic Name: 4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 4-methyl-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-benzyl-2-keto-4-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)C)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-16-18-8-9-21(26)20(15-25-12-10-24(2)11-13-25)22(18)28-23(27)19(16)14-17-6-4-3-5-7-17/h3-9,26H,10-15H2,1-2H3