3,4-dimethyl-7-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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