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

Systemtic Name: 7-methoxy-4-methyl-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 7-methoxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 7-methoxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]-7-methoxy-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)OC)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

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