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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCOC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=C(C=C4)OC

InChI

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