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

Systemtic Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one Openeye Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one CAS Name: 3-(4-methoxyphenyl)-7-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]-1-benzopyran-2-one IUPAC Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]chromen-2-one Traditional Name: 3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]coumarin Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCN(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+1