[5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrate hydrochloride

Systemtic Name: [5-(diethylamino)-2-methyl-pent-3-yn-2-yl] 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate hydrate hydrochloride Openeye Name: [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] 2-cyclohexyl-2-hydroxy-2-phenyl-acetate hydrate hydrochloride CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid [5-(diethylamino)-2-methylpent-3-yn-2-yl] ester hydrate hydrochloride IUPAC Name: [5-(diethylamino)-2-methylpent-3-yn-2-yl] 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrate hydrochloride Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid [4-(diethylamino)-1,1-dimethyl-but-2-ynyl] ester hydrate hydrochloride Formula: C24H38ClNO4 MolecularWeight: 440.01582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl

Isomeric SMILES

CCN(CC)CC#CC(C)(C)OC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.O.Cl

InChI

InChI=1S/C24H35NO3.ClH.H2O/c1-5-25(6-2)19-13-18-23(3,4)28-22(26)24(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7,9-10,14-15,21,27H,5-6,8,11-12,16-17,19H2,1-4H3;1H;1H2