4,7-dimethyl-5-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one

Systemtic Name: 4,7-dimethyl-5-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one Openeye Name: 4,7-dimethyl-5-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethoxy]chromen-2-one CAS Name: 4,7-dimethyl-5-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4,7-dimethyl-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one Traditional Name: 5-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethoxy]-4,7-dimethyl-coumarin Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OCC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C24H27N3O4/c1-17-13-20(24-18(2)15-23(29)31-21(24)14-17)30-16-22(28)27-11-9-26(10-12-27)8-6-19-5-3-4-7-25-19/h3-5,7,13-15H,6,8-12,16H2,1-2H3/p+1