N-[1-(2-oxidanyl-2-phenyl-ethyl)pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride

Systemtic Name: N-[1-(2-oxidanyl-2-phenyl-ethyl)pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride Openeye Name: N-[1-(2-hydroxy-2-phenyl-ethyl)pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride CAS Name: N-[1-(2-hydroxy-2-phenylethyl)-3-pyrrolidinyl]-1-adamantanecarboxamide hydrate hydrochloride IUPAC Name: N-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride Traditional Name: N-[1-(2-hydroxy-2-phenyl-ethyl)pyrrolidin-3-yl]adamantane-1-carboxamide hydrate hydrochloride Formula: C23H35ClN2O3 MolecularWeight: 422.9886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC(C5=CC=CC=C5)O.O.Cl

Isomeric SMILES

C1CN(CC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC(C5=CC=CC=C5)O.O.Cl

InChI

InChI=1S/C23H32N2O2.ClH.H2O/c26-21(19-4-2-1-3-5-19)15-25-7-6-20(14-25)24-22(27)23-11-16-8-17(12-23)10-18(9-16)13-23;;/h1-5,16-18,20-21,26H,6-15H2,(H,24,27);1H;1H2