3,4,9-trimethyl-8-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]furo[2,3-f]chromen-7-one

Systemtic Name: 3,4,9-trimethyl-8-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]furo[2,3-f]chromen-7-one Openeye Name: 3,4,9-trimethyl-8-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]furo[2,3-f]chromen-7-one CAS Name: 3,4,9-trimethyl-8-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-7-furo[2,3-f][1]benzopyranone IUPAC Name: 3,4,9-trimethyl-8-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]furo[2,3-f]chromen-7-one Traditional Name: 8-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3,4,9-trimethyl-furo[2,3-f]chromen-7-one Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)C)C)C4=C1C(=CO4)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC(=O)N3CC[NH+](CC3)C)C)C4=C1C(=CO4)C

InChI

InChI=1S/C21H24N2O4/c1-12-9-16-19(20-18(12)13(2)11-26-20)14(3)15(21(25)27-16)10-17(24)23-7-5-22(4)6-8-23/h9,11H,5-8,10H2,1-4H3/p+1