(1S,5S,6R)-6-phenyl-8-pyridin-1-ium-2-yl-8-azabicyclo[3.2.1]oct-3-en-2-one

Systemtic Name: (1S,5S,6R)-6-phenyl-8-pyridin-1-ium-2-yl-8-azabicyclo[3.2.1]oct-3-en-2-one Openeye Name: (1S,5S,6R)-6-phenyl-8-pyridin-1-ium-2-yl-8-azabicyclo[3.2.1]oct-3-en-2-one CAS Name: (1S,5S,6R)-6-phenyl-8-(2-pyridin-1-iumyl)-8-azabicyclo[3.2.1]oct-3-en-2-one IUPAC Name: (1S,5S,6R)-6-phenyl-8-pyridin-1-ium-2-yl-8-azabicyclo[3.2.1]oct-3-en-2-one Traditional Name: (1S,5S,6R)-6-phenyl-8-pyridin-1-ium-2-yl-8-azabicyclo[3.2.1]oct-3-en-2-one Formula: C18H17N2O+ MolecularWeight: 277.34038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C=CC(=O)C1N2C3=CC=CC=[NH+]3)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H]([C@@H]2C=CC(=O)[C@H]1N2C3=CC=CC=[NH+]3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N2O/c21-17-10-9-15-14(13-6-2-1-3-7-13)12-16(17)20(15)18-8-4-5-11-19-18/h1-11,14-16H,12H2/p+1/t14-,15+,16+/m1/s1