3-(4-bromophenyl)-1-(4-oxidanylbutylamino)-2-phenyl-heptan-3-ol hydrochloride

Systemtic Name: 3-(4-bromophenyl)-1-(4-oxidanylbutylamino)-2-phenyl-heptan-3-ol hydrochloride Openeye Name: 3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-heptan-3-ol hydrochloride CAS Name: 3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-3-heptanol hydrochloride IUPAC Name: 3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenylheptan-3-ol hydrochloride Traditional Name: 3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl-heptan-3-ol hydrochloride Formula: C23H33BrClNO2 MolecularWeight: 470.87062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)Br)(C(CNCCCCO)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C23H32BrNO2.ClH/c1-2-3-15-23(27,20-11-13-21(24)14-12-20)22(18-25-16-7-8-17-26)19-9-5-4-6-10-19;/h4-6,9-14,22,25-27H,2-3,7-8,15-18H2,1H3;1H