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

Systemtic Name: 4-methyl-7-oxidanyl-3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Openeye Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1-benzopyran-2-one IUPAC Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-7-hydroxy-4-methyl-coumarin Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O4/c1-17-20-8-7-19(27)15-22(20)30-24(29)21(17)9-10-23(28)26-13-11-25(12-14-26)16-18-5-3-2-4-6-18/h2-8,15,27H,9-14,16H2,1H3/p+1