2-azanyl-5-(3-octylphenyl)pentane-1,3-diol hydrochloride

Systemtic Name: 2-azanyl-5-(3-octylphenyl)pentane-1,3-diol hydrochloride Openeye Name: 2-amino-5-(3-octylphenyl)pentane-1,3-diol hydrochloride CAS Name: 2-amino-5-(3-octylphenyl)pentane-1,3-diol hydrochloride IUPAC Name: 2-amino-5-(3-octylphenyl)pentane-1,3-diol hydrochloride Traditional Name: 2-amino-5-(3-octylphenyl)pentane-1,3-diol hydrochloride Formula: C19H34ClNO2 MolecularWeight: 343.93176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC=C1)CCC(C(CO)N)O.Cl

Isomeric SMILES

CCCCCCCCC1=CC(=CC=C1)CCC(C(CO)N)O.Cl

InChI

InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-9-16-10-8-11-17(14-16)12-13-19(22)18(20)15-21;/h8,10-11,14,18-19,21-22H,2-7,9,12-13,15,20H2,1H3;1H