2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzo[f][1]benzofuran-4,9-dione

Systemtic Name: 2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzo[f][1]benzofuran-4,9-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-benzo[f]benzofuran-4,9-dione CAS Name: 2-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzo[f]benzofuran-4,9-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methylbenzo[f][1]benzofuran-4,9-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-2-methyl-benzo[f]benzofuran-4,9-quinone Formula: C25H23N2O4+ MolecularWeight: 415.46112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N2O4/c1-16-20(21-22(28)18-9-5-6-10-19(18)23(29)24(21)31-16)25(30)27-13-11-26(12-14-27)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3/p+1