6-(azocan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide

Systemtic Name: 6-(azocan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide Openeye Name: 6-(azocan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide CAS Name: 6-(1-azocanyl)-5-methyl-4,4-diphenyl-3-hexanone hydrobromide IUPAC Name: 6-(azocan-1-yl)-5-methyl-4,4-diphenylhexan-3-one hydrobromide Traditional Name: 6-(azocan-1-yl)-5-methyl-4,4-diphenyl-hexan-3-one hydrobromide Formula: C26H36BrNO MolecularWeight: 458.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCCCCC3.Br

Isomeric SMILES

CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCCCCCC3.Br

InChI

InChI=1S/C26H35NO.BrH/c1-3-25(28)26(23-15-9-7-10-16-23,24-17-11-8-12-18-24)22(2)21-27-19-13-5-4-6-14-20-27;/h7-12,15-18,22H,3-6,13-14,19-21H2,1-2H3;1H