6-ethyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-ethyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 6-ethyl-4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 6-ethyl-2-keto-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]chromen-7-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)[O-]

InChI

InChI=1S/C23H26N2O4/c1-3-16-12-20-17(13-23(27)29-22(20)14-21(16)26)15-24-8-10-25(11-9-24)18-4-6-19(28-2)7-5-18/h4-7,12-14,26H,3,8-11,15H2,1-2H3