1-[2-[(3S)-3-azanylpyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol dihydrochloride

Systemtic Name: 1-[2-[(3S)-3-azanylpyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol dihydrochloride Openeye Name: 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-(4-benzyloxyphenyl)ethyl]cyclohexanol dihydrochloride CAS Name: 1-[2-[(3S)-3-amino-1-pyrrolidinyl]-1-(4-phenylmethoxyphenyl)ethyl]-1-cyclohexanol dihydrochloride IUPAC Name: 1-[2-[(3S)-3-aminopyrrolidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol dihydrochloride Traditional Name: 1-[2-[(3S)-3-aminopyrrolidino]-1-(4-benzoxyphenyl)ethyl]cyclohexanol dihydrochloride Formula: C25H36Cl2N2O2 MolecularWeight: 467.47154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(CN2CCC(C2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

C1CCC(CC1)(C(CN2CC[C@@H](C2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4)O.Cl.Cl

InChI

InChI=1S/C25H34N2O2.2ClH/c26-22-13-16-27(17-22)18-24(25(28)14-5-2-6-15-25)21-9-11-23(12-10-21)29-19-20-7-3-1-4-8-20;;/h1,3-4,7-12,22,24,28H,2,5-6,13-19,26H2;2*1H/t22-,24?;;/m0../s1