4-methyl-5,7-bis(oxidanyl)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 4-methyl-5,7-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]-5,7-dihydroxy-4-methyl-chromen-2-one CAS Name: 5,7-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]-5,7-dihydroxy-4-methylchromen-2-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5,7-dihydroxy-4-methyl-coumarin Formula: C23H25N2O5+ MolecularWeight: 409.455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)O)O)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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