2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1-naphthalen-2-yl-ethanol trihydrate

Systemtic Name: 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1-naphthalen-2-yl-ethanol trihydrate Openeye Name: 1-(2-naphthyl)-2-(quinuclidin-3-ylamino)ethanol trihydrate CAS Name: 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1-(2-naphthalenyl)ethanol trihydrate IUPAC Name: 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-1-naphthalen-2-ylethanol trihydrate Traditional Name: 1-(2-naphthyl)-2-(quinuclidin-3-ylamino)ethanol trihydrate Formula: C19H30N2O4 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NCC(C3=CC4=CC=CC=C4C=C3)O.O.O.O

Isomeric SMILES

C1CN2CCC1C(C2)NCC(C3=CC4=CC=CC=C4C=C3)O.O.O.O

InChI

InChI=1S/C19H24N2O.3H2O/c22-19(12-20-18-13-21-9-7-15(18)8-10-21)17-6-5-14-3-1-2-4-16(14)11-17;;;/h1-6,11,15,18-20,22H,7-10,12-13H2;3*1H2