3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]coumarin Formula: C25H31N2O5+ MolecularWeight: 439.52404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCN3CC[NH+](CC3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCN3CC[NH+](CC3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H30N2O5/c1-17-20-7-6-19(31-14-13-27-11-9-26(2)10-12-27)16-22(20)32-25(28)24(17)18-5-8-21(29-3)23(15-18)30-4/h5-8,15-16H,9-14H2,1-4H3/p+1