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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]chromen-4-one Openeye Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-3-(4-methoxyphenyl)-2-methyl-chromen-4-one CAS Name: 3-(4-methoxyphenyl)-2-methyl-7-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)-2-methylchromen-4-one Traditional Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-(4-methoxyphenyl)-2-methyl-chromone Formula: C30H31N2O5+ MolecularWeight: 499.57754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H30N2O5/c1-21-29(23-8-10-24(35-2)11-9-23)30(34)26-13-12-25(18-27(26)37-21)36-20-28(33)32-16-14-31(15-17-32)19-22-6-4-3-5-7-22/h3-13,18H,14-17,19-20H2,1-2H3/p+1