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

Systemtic Name: 2-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H28N3O3+ MolecularWeight: 442.52952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C27H27N3O3/c31-24(29-17-15-28(16-18-29)19-20-7-2-1-3-8-20)13-6-14-30-26(32)22-11-4-9-21-10-5-12-23(25(21)22)27(30)33/h1-5,7-12H,6,13-19H2/p+1