[1-(dimethylamino)-2-(dimethylaminomethyl)-2-oxidanyl-butyl] benzoate dihydrate hydrochloride

Systemtic Name: [1-(dimethylamino)-2-(dimethylaminomethyl)-2-oxidanyl-butyl] benzoate dihydrate hydrochloride Openeye Name: [1-(dimethylamino)-2-(dimethylaminomethyl)-2-hydroxy-butyl] benzoate dihydrate hydrochloride CAS Name: benzoic acid [1-(dimethylamino)-2-(dimethylaminomethyl)-2-hydroxybutyl] ester dihydrate hydrochloride IUPAC Name: [1-(dimethylamino)-2-(dimethylaminomethyl)-2-hydroxybutyl] benzoate dihydrate hydrochloride Traditional Name: benzoic acid [1-(dimethylamino)-2-(dimethylaminomethyl)-2-hydroxy-butyl] ester dihydrate hydrochloride Formula: C16H31ClN2O5 MolecularWeight: 366.88074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(C)C)(C(N(C)C)OC(=O)C1=CC=CC=C1)O.O.O.Cl

Isomeric SMILES

CCC(CN(C)C)(C(N(C)C)OC(=O)C1=CC=CC=C1)O.O.O.Cl

InChI

InChI=1S/C16H26N2O3.ClH.2H2O/c1-6-16(20,12-17(2)3)15(18(4)5)21-14(19)13-10-8-7-9-11-13;;;/h7-11,15,20H,6,12H2,1-5H3;1H;2*1H2