3-(4-methoxyphenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one

Systemtic Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one Openeye Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one CAS Name: 3-(4-methoxyphenyl)-7-[2-(4-methyl-1-piperazine-1,4-diiumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]chromen-2-one Traditional Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazine-1,4-diium-1-yl)ethoxy]coumarin Formula: C23H28N2O4+2 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N2O4/c1-24-9-11-25(12-10-24)13-14-28-20-8-5-18-15-21(23(26)29-22(18)16-20)17-3-6-19(27-2)7-4-17/h3-8,15-16H,9-14H2,1-2H3/p+2