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

Systemtic Name: 1-chloranyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-anthracene-9,10-dione hydrochloride Openeye Name: 1-chloro-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]anthracene-9,10-dione hydrochloride CAS Name: 1-chloro-2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]anthracene-9,10-dione hydrochloride IUPAC Name: 1-chloro-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]anthracene-9,10-dione hydrochloride Traditional Name: 1-chloro-2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-9,10-anthraquinone hydrochloride Formula: C28H24Cl2N2O3 MolecularWeight: 507.40776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl.Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)Cl.Cl

InChI

InChI=1S/C28H23ClN2O3.ClH/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;1H/b9-6+;