[1-(dimethylamino)-2-(dimethylaminomethyl)butan-2-yl] benzoate hydrate hydrochloride

Systemtic Name: [1-(dimethylamino)-2-(dimethylaminomethyl)butan-2-yl] benzoate hydrate hydrochloride Openeye Name: 1,1-bis(dimethylaminomethyl)propyl benzoate hydrate hydrochloride CAS Name: benzoic acid [1-(dimethylamino)-2-(dimethylaminomethyl)butan-2-yl] ester hydrate hydrochloride IUPAC Name: [1-(dimethylamino)-2-(dimethylaminomethyl)butan-2-yl] benzoate hydrate hydrochloride Traditional Name: benzoic acid 1,1-bis(dimethylaminomethyl)propyl ester hydrate hydrochloride Formula: C16H29ClN2O3 MolecularWeight: 332.86606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2.ClH.H2O/c1-6-16(12-17(2)3,13-18(4)5)20-15(19)14-10-8-7-9-11-14;;/h7-11H,6,12-13H2,1-5H3;1H;1H2