6-(4-methylpiperazin-4-ium-1-yl)-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-2-(8-methyl-5-quinolyl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-2-(8-methyl-5-quinolinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)-2-(8-methyl-5-quinolyl)benzo[de]isoquinoline-1,3-quinone Formula: C27H25N4O2+ MolecularWeight: 437.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)N3C(=O)C4=C5C(=C(C=C4)N6CC[NH+](CC6)C)C=CC=C5C3=O)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)N3C(=O)C4=C5C(=C(C=C4)N6CC[NH+](CC6)C)C=CC=C5C3=O)C=CC=N2

InChI

InChI=1S/C27H24N4O2/c1-17-8-10-23(19-7-4-12-28-25(17)19)31-26(32)20-6-3-5-18-22(30-15-13-29(2)14-16-30)11-9-21(24(18)20)27(31)33/h3-12H,13-16H2,1-2H3/p+1