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

Systemtic Name: 2-(3-methylphenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(m-tolyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-methylphenyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylphenyl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(m-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=C1)N2C(=O)C3=C4C(=C(C=C3)N5CC[NH2+]CC5)C=CC=C4C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C4C(=C(C=C3)N5CC[NH2+]CC5)C=CC=C4C2=O

InChI

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