4-[4-(dimethylamino)-1-oxidanyl-1-phenyl-butyl]-3-(hydroxymethyl)benzenecarbonitrile hydrobromide

Systemtic Name: 4-[4-(dimethylamino)-1-oxidanyl-1-phenyl-butyl]-3-(hydroxymethyl)benzenecarbonitrile hydrobromide Openeye Name: 4-[4-(dimethylamino)-1-hydroxy-1-phenyl-butyl]-3-(hydroxymethyl)benzonitrile hydrobromide CAS Name: 4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]-3-(hydroxymethyl)benzonitrile hydrobromide IUPAC Name: 4-[4-(dimethylamino)-1-hydroxy-1-phenylbutyl]-3-(hydroxymethyl)benzonitrile hydrobromide Traditional Name: 4-[4-(dimethylamino)-1-hydroxy-1-phenyl-butyl]-3-methylol-benzonitrile hydrobromide Formula: C20H25BrN2O2 MolecularWeight: 405.3287

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC(C1=CC=CC=C1)(C2=C(C=C(C=C2)C#N)CO)O.Br

Isomeric SMILES

CN(C)CCCC(C1=CC=CC=C1)(C2=C(C=C(C=C2)C#N)CO)O.Br

InChI

InChI=1S/C20H24N2O2.BrH/c1-22(2)12-6-11-20(24,18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23;/h3-5,7-10,13,23-24H,6,11-12,15H2,1-2H3;1H