2-(2-methylphenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(2-methylphenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(o-tolyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-methylphenyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-methylphenyl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(o-tolyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-quinone Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)N5CC[NH2+]CC5)C=CC=C4C2=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)N5CC[NH2+]CC5)C=CC=C4C2=O

InChI

InChI=1S/C23H21N3O2/c1-15-5-2-3-8-19(15)26-22(27)17-7-4-6-16-20(25-13-11-24-12-14-25)10-9-18(21(16)17)23(26)28/h2-10,24H,11-14H2,1H3/p+1