6,7-dimethyl-2-(4-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-4-one

Systemtic Name: 6,7-dimethyl-2-(4-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-4-one Openeye Name: 6,7-dimethyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-2-(p-tolyl)chromen-4-one CAS Name: 6,7-dimethyl-2-(4-methylphenyl)-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-1-benzopyran-4-one IUPAC Name: 6,7-dimethyl-2-(4-methylphenyl)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-6,7-dimethyl-2-(p-tolyl)chromone Formula: C25H29N2O4+ MolecularWeight: 421.50876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)C)OCC(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC(=C(C=C3O2)C)C)OCC(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H28N2O4/c1-16-5-7-19(8-6-16)24-25(30-15-22(28)27-11-9-26(4)10-12-27)23(29)20-13-17(2)18(3)14-21(20)31-24/h5-8,13-14H,9-12,15H2,1-4H3/p+1