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

Systemtic Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 2-keto-4-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-6-olate Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=CC=CC=C4OC)[O-]

InChI

InChI=1S/C22H24N2O4/c1-15-11-21-17(13-19(15)25)16(12-22(26)28-21)14-23-7-9-24(10-8-23)18-5-3-4-6-20(18)27-2/h3-6,11-13,25H,7-10,14H2,1-2H3