4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-5-olate

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxidanylidene-chromen-5-olate Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxo-chromen-5-olate CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-2-oxo-1-benzopyran-5-olate IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxochromen-5-olate Traditional Name: 2-keto-4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-5-olate Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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