(E)-3-azabicyclo[2.2.2]octan-2-ylidene-[(1R,2R)-2-phenylcyclopentyl]azanium chloride

Systemtic Name: (E)-3-azabicyclo[2.2.2]octan-2-ylidene-[(1R,2R)-2-phenylcyclopentyl]azanium chloride Openeye Name: (E)-3-azabicyclo[2.2.2]octan-2-ylidene-[(1R,2R)-2-phenylcyclopentyl]ammonium chloride CAS Name: (E)-3-azabicyclo[2.2.2]octan-2-ylidene-[(1R,2R)-2-phenylcyclopentyl]ammonium chloride IUPAC Name: (E)-3-azabicyclo[2.2.2]octan-2-ylidene-[(1R,2R)-2-phenylcyclopentyl]azanium chloride Traditional Name: (E)-3-azabicyclo[2.2.2]octan-2-ylidene-[(1R,2R)-2-phenylcyclopentyl]ammonium chloride Formula: C18H25ClN2 MolecularWeight: 304.8575

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)[NH+]=C2C3CCC(N2)CC3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C[C@@H]([C@@H](C1)/[NH+]=C/2\C3CCC(N2)CC3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C18H24N2.ClH/c1-2-5-13(6-3-1)16-7-4-8-17(16)20-18-14-9-11-15(19-18)12-10-14;/h1-3,5-6,14-17H,4,7-12H2,(H,19,20);1H/t14?,15?,16-,17-;/m1./s1