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

Systemtic Name: 2-(2-methoxyphenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-methoxyphenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-methoxyphenyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-methoxyphenyl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-methoxyphenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-quinone Formula: C23H22N3O3+ MolecularWeight: 388.43908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)N5CC[NH2+]CC5)C=CC=C4C2=O

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C4C(=C(C=C3)N5CC[NH2+]CC5)C=CC=C4C2=O

InChI

InChI=1S/C23H21N3O3/c1-29-20-8-3-2-7-19(20)26-22(27)16-6-4-5-15-18(25-13-11-24-12-14-25)10-9-17(21(15)16)23(26)28/h2-10,24H,11-14H2,1H3/p+1