3-(4-methoxyphenyl)-7-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-7-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-4-one Openeye Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethoxy]chromen-4-one CAS Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-4-one Traditional Name: 7-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]ethoxy]-3-(4-methoxyphenyl)chromone Formula: C29H30N3O5+ MolecularWeight: 500.5656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N4CC[NH+](CC4)CCC5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N4CC[NH+](CC4)CCC5=CC=NC=C5

InChI

InChI=1S/C29H29N3O5/c1-35-23-4-2-22(3-5-23)26-19-37-27-18-24(6-7-25(27)29(26)34)36-20-28(33)32-16-14-31(15-17-32)13-10-21-8-11-30-12-9-21/h2-9,11-12,18-19H,10,13-17,20H2,1H3/p+1