5-methyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-furo[3,2-g]chromen-7-one

Systemtic Name: 5-methyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-phenyl-furo[3,2-g]chromen-7-one Openeye Name: 5-methyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-phenyl-furo[3,2-g]chromen-7-one CAS Name: 5-methyl-6-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-phenyl-7-furo[3,2-g][1]benzopyranone IUPAC Name: 5-methyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-phenylfuro[3,2-g]chromen-7-one Traditional Name: 6-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-methyl-3-phenyl-furo[3,2-g]chromen-7-one Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=CC=C4)CC(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C25H24N2O4/c1-16-18-12-20-21(17-6-4-3-5-7-17)15-30-22(20)14-23(18)31-25(29)19(16)13-24(28)27-10-8-26(2)9-11-27/h3-7,12,14-15H,8-11,13H2,1-2H3/p+1