4-methyl-7,8-bis(oxidanyl)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 4-methyl-7,8-bis(oxidanyl)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-7,8-dihydroxy-4-methyl-chromen-2-one CAS Name: 7,8-dihydroxy-4-methyl-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-7,8-dihydroxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-7,8-dihydroxy-4-methyl-coumarin Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5/c1-15-17-7-8-19(26)21(28)22(17)30-23(29)18(15)13-20(27)25-11-9-24(10-12-25)14-16-5-3-2-4-6-16/h2-8,26,28H,9-14H2,1H3/p+1