(5E)-3-[3-(4-tert-butyl-2-methoxy-phenyl)piperazin-1-yl]octa-5,7-dien-4-one dihydrochloride

Systemtic Name: (5E)-3-[3-(4-tert-butyl-2-methoxy-phenyl)piperazin-1-yl]octa-5,7-dien-4-one dihydrochloride Openeye Name: (5E)-3-[3-(4-tert-butyl-2-methoxy-phenyl)piperazin-1-yl]octa-5,7-dien-4-one dihydrochloride CAS Name: (5E)-3-[3-(4-tert-butyl-2-methoxyphenyl)-1-piperazinyl]-4-octa-5,7-dienone dihydrochloride IUPAC Name: (5E)-3-[3-(4-tert-butyl-2-methoxyphenyl)piperazin-1-yl]octa-5,7-dien-4-one dihydrochloride Traditional Name: (5E)-3-[3-(4-tert-butyl-2-methoxy-phenyl)piperazino]octa-5,7-dien-4-one dihydrochloride Formula: C23H36Cl2N2O2 MolecularWeight: 443.45014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C=CC=C)N1CCNC(C1)C2=C(C=C(C=C2)C(C)(C)C)OC.Cl.Cl

Isomeric SMILES

CCC(C(=O)/C=C/C=C)N1CCNC(C1)C2=C(C=C(C=C2)C(C)(C)C)OC.Cl.Cl

InChI

InChI=1S/C23H34N2O2.2ClH/c1-7-9-10-21(26)20(8-2)25-14-13-24-19(16-25)18-12-11-17(23(3,4)5)15-22(18)27-6;;/h7,9-12,15,19-20,24H,1,8,13-14,16H2,2-6H3;2*1H/b10-9+;;