2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C19H20N3O3+ MolecularWeight: 338.3804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C19H19N3O3/c1-20-8-10-21(11-9-20)16(23)12-22-18(24)14-6-2-4-13-5-3-7-15(17(13)14)19(22)25/h2-7H,8-12H2,1H3/p+1