7,8-dimethoxy-4-methyl-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one

Systemtic Name: 7,8-dimethoxy-4-methyl-3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]chromen-2-one Openeye Name: 7,8-dimethoxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]chromen-2-one CAS Name: 7,8-dimethoxy-4-methyl-3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethoxy-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]-7,8-dimethoxy-4-methyl-coumarin Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2OC)OC)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C25H29N3O5/c1-17-19-7-8-21(31-2)24(32-3)23(19)33-25(30)20(17)16-22(29)28-14-12-27(13-15-28)11-9-18-6-4-5-10-26-18/h4-8,10H,9,11-16H2,1-3H3/p+1