4-methyl-7-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethoxy]-4-methyl-coumarin Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O5/c1-16-12-22(28)30-19-13-17(4-5-18(16)19)29-15-21(27)25-10-8-23(9-11-25)14-20(26)24-6-2-3-7-24/h4-5,12-13H,2-3,6-11,14-15H2,1H3/p+1