[2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl] adamantane-2-carboxylate dihydrate dihydrochloride

Systemtic Name: [2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl] adamantane-2-carboxylate dihydrate dihydrochloride Openeye Name: [2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl] adamantane-2-carboxylate dihydrate dihydrochloride CAS Name: 2-adamantanecarboxylic acid [2-[methyl-[2-(1-pyrrolidinyl)ethyl]amino]phenyl] ester dihydrate dihydrochloride IUPAC Name: [2-[methyl(2-pyrrolidin-1-ylethyl)amino]phenyl] adamantane-2-carboxylate dihydrate dihydrochloride Traditional Name: adamantane-2-carboxylic acid [2-[methyl(2-pyrrolidinoethyl)amino]phenyl] ester dihydrate dihydrochloride Formula: C24H40Cl2N2O4 MolecularWeight: 491.4914

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCCC1)C2=CC=CC=C2OC(=O)C3C4CC5CC(C4)CC3C5.O.O.Cl.Cl

Isomeric SMILES

CN(CCN1CCCC1)C2=CC=CC=C2OC(=O)C3C4CC5CC(C4)CC3C5.O.O.Cl.Cl

InChI

InChI=1S/C24H34N2O2.2ClH.2H2O/c1-25(10-11-26-8-4-5-9-26)21-6-2-3-7-22(21)28-24(27)23-19-13-17-12-18(15-19)16-20(23)14-17;;;;/h2-3,6-7,17-20,23H,4-5,8-16H2,1H3;2*1H;2*1H2