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

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-quinone Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C21H23N3O3/c1-22-11-13-23(14-12-22)18(25)9-4-10-24-20(26)16-7-2-5-15-6-3-8-17(19(15)16)21(24)27/h2-3,5-8H,4,9-14H2,1H3/p+1