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

Systemtic Name: 2-[4-[4-(4-methylphenyl)piperazin-1-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-[4-(p-tolyl)piperazin-1-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(4-methylphenyl)-1-piperazin-1-iumyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-[4-(4-methylphenyl)piperazin-1-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(p-tolyl)piperazin-1-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H29N3O2/c1-20-10-12-22(13-11-20)29-18-16-28(17-19-29)14-2-3-15-30-26(31)23-8-4-6-21-7-5-9-24(25(21)23)27(30)32/h4-13H,2-3,14-19H2,1H3/p+1