benzoic acid; 1-(dibutylamino)-3-propoxy-propan-2-ol; hydrochloride

Systemtic Name: benzoic acid; 1-(dibutylamino)-3-propoxy-propan-2-ol; hydrochloride Openeye Name: benzoic acid; 1-(dibutylamino)-3-propoxy-propan-2-ol; hydrochloride CAS Name: benzoic acid; 1-(dibutylamino)-3-propoxy-2-propanol; hydrochloride IUPAC Name: benzoic acid; 1-(dibutylamino)-3-propoxypropan-2-ol; hydrochloride Traditional Name: benzoic acid; 1-(dibutylamino)-3-propoxy-propan-2-ol; hydrochloride Formula: C21H38ClNO4 MolecularWeight: 403.98372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(COCCC)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC(COCCC)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C14H31NO2.C7H6O2.ClH/c1-4-7-9-15(10-8-5-2)12-14(16)13-17-11-6-3;8-7(9)6-4-2-1-3-5-6;/h14,16H,4-13H2,1-3H3;1-5H,(H,8,9);1H