1-azoniabicyclo[2.2.2]octan-3-yl(1-phenylpropan-2-yl)azanium; ethanedioate

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-3-yl(1-phenylpropan-2-yl)azanium; ethanedioate Openeye Name: (1-methyl-2-phenyl-ethyl)-quinuclidin-1-ium-3-yl-ammonium; oxalate CAS Name: 1-azoniabicyclo[2.2.2]octan-3-yl(1-phenylpropan-2-yl)ammonium; oxalate IUPAC Name: 1-azoniabicyclo[2.2.2]octan-3-yl(1-phenylpropan-2-yl)azanium; oxalate Traditional Name: (1-methyl-2-phenyl-ethyl)-quinuclidin-1-ium-3-yl-ammonium; oxalate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[NH2+]C2C[NH+]3CCC2CC3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[NH2+]C2C[NH+]3CCC2CC3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H24N2.C2H2O4/c1-13(11-14-5-3-2-4-6-14)17-16-12-18-9-7-15(16)8-10-18;3-1(4)2(5)6/h2-6,13,15-17H,7-12H2,1H3;(H,3,4)(H,5,6)