3-[[(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-oxidanylidene-2-phenyl-propan-1-olate

Systemtic Name: 3-[[(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-oxidanylidene-2-phenyl-propan-1-olate Openeye Name: 3-[[(1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-oxo-2-phenyl-propan-1-olate CAS Name: 3-[[(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-oxo-2-phenyl-1-propanolate IUPAC Name: 3-[[(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-oxo-2-phenylpropan-1-olate Traditional Name: 3-[[(1R,5S)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy]-3-keto-2-phenyl-propan-1-olate Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(C[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C20H29NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19H,9-13H2,1-3H3/t16-,17+,18?,19?,21?