1-[4-(phenylmethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]anthracene-9,10-dione Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)anthracene-9,10-dione CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]anthracene-9,10-dione IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)anthracene-9,10-dione Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-9,10-anthraquinone Formula: C25H23N2O2+ MolecularWeight: 383.46232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22N2O2/c28-24-19-9-4-5-10-20(19)25(29)23-21(24)11-6-12-22(23)27-15-13-26(14-16-27)17-18-7-2-1-3-8-18/h1-12H,13-17H2/p+1