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

Systemtic Name: 2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-[4-(m-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=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

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