4-(1-adamantyloxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline dihydrate dihydrochloride

Systemtic Name: 4-(1-adamantyloxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline dihydrate dihydrochloride Openeye Name: 4-(1-adamantyloxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline dihydrate dihydrochloride CAS Name: 4-(1-adamantyloxy)-N-methyl-N-[2-(1-pyrrolidinyl)ethyl]aniline dihydrate dihydrochloride IUPAC Name: 4-(1-adamantyloxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline dihydrate dihydrochloride Traditional Name: [4-(1-adamantyloxy)phenyl]-methyl-(2-pyrrolidinoethyl)amine dihydrate dihydrochloride Formula: C23H40Cl2N2O3 MolecularWeight: 463.4813

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCCC1)C2=CC=C(C=C2)OC34CC5CC(C3)CC(C5)C4.O.O.Cl.Cl

Isomeric SMILES

CN(CCN1CCCC1)C2=CC=C(C=C2)OC34CC5CC(C3)CC(C5)C4.O.O.Cl.Cl

InChI

InChI=1S/C23H34N2O.2ClH.2H2O/c1-24(10-11-25-8-2-3-9-25)21-4-6-22(7-5-21)26-23-15-18-12-19(16-23)14-20(13-18)17-23;;;;/h4-7,18-20H,2-3,8-17H2,1H3;2*1H;2*1H2