4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 4-methyl-7-(2-methylallyloxy)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]chromen-2-one CAS Name: 4-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-14(2)13-26-16-5-6-17-15(3)18(21(25)27-19(17)11-16)12-20(24)23-9-7-22(4)8-10-23/h5-6,11H,1,7-10,12-13H2,2-4H3/p+1