1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]anthracene-9,10-dione

Systemtic Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]anthracene-9,10-dione Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]anthracene-9,10-dione CAS Name: 1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]anthracene-9,10-dione IUPAC Name: 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]anthracene-9,10-dione Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-9,10-anthraquinone Formula: C27H25N2O2+ MolecularWeight: 409.4996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O2/c30-26-21-11-4-5-12-22(21)27(31)25-23(26)13-6-14-24(25)29-18-16-28(17-19-29)15-7-10-20-8-2-1-3-9-20/h1-14H,15-19H2/p+1/b10-7+