2-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(o-tolyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(o-tolyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H27N3O2/c1-19-7-2-3-12-23(19)28-17-15-27(16-18-28)13-6-14-29-25(30)21-10-4-8-20-9-5-11-22(24(20)21)26(29)31/h2-5,7-12H,6,13-18H2,1H3/p+1