(3E)-10-(4-tert-butylphenyl)-6-piperazin-1-yl-trideca-1,3-dien-5-one dihydrochloride

Systemtic Name: (3E)-10-(4-tert-butylphenyl)-6-piperazin-1-yl-trideca-1,3-dien-5-one dihydrochloride Openeye Name: (3E)-10-(4-tert-butylphenyl)-6-piperazin-1-yl-trideca-1,3-dien-5-one dihydrochloride CAS Name: (3E)-10-(4-tert-butylphenyl)-6-(1-piperazinyl)-5-trideca-1,3-dienone dihydrochloride IUPAC Name: (3E)-10-(4-tert-butylphenyl)-6-piperazin-1-yltrideca-1,3-dien-5-one dihydrochloride Traditional Name: (3E)-10-(4-tert-butylphenyl)-6-piperazino-trideca-1,3-dien-5-one dihydrochloride Formula: C27H44Cl2N2O MolecularWeight: 483.55706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(C(=O)C=CC=C)N1CCNCC1)C2=CC=C(C=C2)C(C)(C)C.Cl.Cl

Isomeric SMILES

CCCC(CCCC(C(=O)/C=C/C=C)N1CCNCC1)C2=CC=C(C=C2)C(C)(C)C.Cl.Cl

InChI

InChI=1S/C27H42N2O.2ClH/c1-6-8-13-26(30)25(29-20-18-28-19-21-29)12-9-11-22(10-7-2)23-14-16-24(17-15-23)27(3,4)5;;/h6,8,13-17,22,25,28H,1,7,9-12,18-21H2,2-5H3;2*1H/b13-8+;;