benzoic acid; 4-(3,4,5-trimethoxypiperidin-4-yl)butan-1-ol; hydrochloride

Systemtic Name: benzoic acid; 4-(3,4,5-trimethoxypiperidin-4-yl)butan-1-ol; hydrochloride Openeye Name: benzoic acid; 4-(3,4,5-trimethoxy-4-piperidyl)butan-1-ol; hydrochloride CAS Name: benzoic acid; 4-(3,4,5-trimethoxy-4-piperidinyl)-1-butanol; hydrochloride IUPAC Name: benzoic acid; 4-(3,4,5-trimethoxypiperidin-4-yl)butan-1-ol; hydrochloride Traditional Name: benzoic acid; 4-(3,4,5-trimethoxy-4-piperidyl)butan-1-ol; hydrochloride Formula: C19H32ClNO6 MolecularWeight: 405.91348

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Descriptors Computed from Structure

Canonical SMILES:

COC1CNCC(C1(CCCCO)OC)OC.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

COC1CNCC(C1(CCCCO)OC)OC.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C12H25NO4.C7H6O2.ClH/c1-15-10-8-13-9-11(16-2)12(10,17-3)6-4-5-7-14;8-7(9)6-4-2-1-3-5-6;/h10-11,13-14H,4-9H2,1-3H3;1-5H,(H,8,9);1H