4-methyl-6-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-7-(2-methylprop-2-enoxy)chromen-2-one

Systemtic Name: 4-methyl-6-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-7-(2-methylprop-2-enoxy)chromen-2-one Openeye Name: 4-methyl-7-(2-methylallyloxy)-6-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]chromen-2-one CAS Name: 4-methyl-6-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-7-(2-methylprop-2-enoxy)-1-benzopyran-2-one IUPAC Name: 4-methyl-6-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-7-(2-methylprop-2-enoxy)chromen-2-one Traditional Name: 6-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)C)OCC(=C)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CC[NH+](CC3)C)OCC(=C)C

InChI

InChI=1S/C22H28N2O4/c1-15(2)14-27-19-13-20-18(16(3)11-22(26)28-20)12-17(19)5-6-21(25)24-9-7-23(4)8-10-24/h11-13H,1,5-10,14H2,2-4H3/p+1