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

Systemtic Name: 1-chloranyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-anthracene-9,10-dione Openeye Name: 1-chloro-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]anthracene-9,10-dione CAS Name: 1-chloro-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]anthracene-9,10-dione IUPAC Name: 1-chloro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]anthracene-9,10-dione Traditional Name: 1-chloro-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-9,10-anthraquinone Formula: C28H24ClN2O3+ MolecularWeight: 471.95476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C28H23ClN2O3/c29-25-23(13-12-22-24(25)27(33)21-11-5-4-10-20(21)26(22)32)28(34)31-17-15-30(16-18-31)14-6-9-19-7-2-1-3-8-19/h1-13H,14-18H2/p+1/b9-6+