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

Systemtic Name: 4-methyl-7-oxidanyl-3-[3-oxidanylidene-3-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[3-oxo-3-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]propyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]propyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Traditional Name: 7-hydroxy-3-[3-keto-3-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]propyl]-4-methyl-coumarin Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C24H27N3O4/c1-17-20-3-2-19(28)16-22(20)31-24(30)21(17)4-5-23(29)27-14-12-26(13-15-27)11-8-18-6-9-25-10-7-18/h2-3,6-7,9-10,16,28H,4-5,8,11-15H2,1H3/p+1