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

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-ethyl-1-piperazin-4-iumyl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-2-23-12-14-24(15-13-23)19(26)10-5-11-25-21(27)17-8-3-6-16-7-4-9-18(20(16)17)22(25)28/h3-4,6-9H,2,5,10-15H2,1H3/p+1