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

Systemtic Name: 2-[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxo-propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(4-benzhydrylpiperazin-4-ium-1-yl)-3-keto-propyl]benzo[de]isoquinoline-1,3-quinone Formula: C32H30N3O3+ MolecularWeight: 504.5989

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C32H29N3O3/c36-28(17-18-35-31(37)26-15-7-13-23-14-8-16-27(29(23)26)32(35)38)33-19-21-34(22-20-33)30(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-16,30H,17-22H2/p+1