benzoic acid; 1,1-bis(2-methylpropylamino)-3-piperidin-1-yl-propan-2-ol; dihydrochloride

Systemtic Name: benzoic acid; 1,1-bis(2-methylpropylamino)-3-piperidin-1-yl-propan-2-ol; dihydrochloride Openeye Name: benzoic acid; 1,1-bis(isobutylamino)-3-(1-piperidyl)propan-2-ol; dihydrochloride CAS Name: benzoic acid; 1,1-bis(2-methylpropylamino)-3-(1-piperidinyl)-2-propanol; dihydrochloride IUPAC Name: benzoic acid; 1,1-bis(2-methylpropylamino)-3-piperidin-1-ylpropan-2-ol; dihydrochloride Traditional Name: benzoic acid; 1,1-bis(isobutylamino)-3-piperidino-propan-2-ol; dihydrochloride Formula: C23H43Cl2N3O3 MolecularWeight: 480.51182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(C(CN1CCCCC1)O)NCC(C)C.C1=CC=C(C=C1)C(=O)O.Cl.Cl

Isomeric SMILES

CC(C)CNC(C(CN1CCCCC1)O)NCC(C)C.C1=CC=C(C=C1)C(=O)O.Cl.Cl

InChI

InChI=1S/C16H35N3O.C7H6O2.2ClH/c1-13(2)10-17-16(18-11-14(3)4)15(20)12-19-8-6-5-7-9-19;8-7(9)6-4-2-1-3-5-6;;/h13-18,20H,5-12H2,1-4H3;1-5H,(H,8,9);2*1H