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

Systemtic Name: 4,7-dimethyl-5-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-hydroxy-4,7-dimethyl-chromen-2-one CAS Name: 5-hydroxy-4,7-dimethyl-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-hydroxy-4,7-dimethylchromen-2-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5-hydroxy-4,7-dimethyl-coumarin Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C)C(=C1)O

InChI

InChI=1S/C24H26N2O4/c1-16-12-20(27)23-17(2)19(24(29)30-21(23)13-16)14-22(28)26-10-8-25(9-11-26)15-18-6-4-3-5-7-18/h3-7,12-13,27H,8-11,14-15H2,1-2H3/p+1