2-but-2-ynyl-2,6,6-trimethyl-7-phenyl-1-aza-2-azoniabicyclo[3.1.1]heptan-3-one

Systemtic Name: 2-but-2-ynyl-2,6,6-trimethyl-7-phenyl-1-aza-2-azoniabicyclo[3.1.1]heptan-3-one Openeye Name: 2-but-2-ynyl-2,6,6-trimethyl-7-phenyl-1-aza-2-azoniabicyclo[3.1.1]heptan-3-one CAS Name: 2-but-2-ynyl-2,6,6-trimethyl-7-phenyl-1-aza-2-azoniabicyclo[3.1.1]heptan-3-one IUPAC Name: 2-but-2-ynyl-2,6,6-trimethyl-7-phenyl-1-aza-2-azoniabicyclo[3.1.1]heptan-3-one Traditional Name: 2-but-2-ynyl-2,6,6-trimethyl-7-phenyl-1-aza-2-azoniabicyclo[3.1.1]heptan-3-one Formula: C18H23N2O+ MolecularWeight: 283.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC[N+]1(C(=O)CC2C(N1C2(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC#CC[N+]1(C(=O)CC2C(N1C2(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C18H23N2O/c1-5-6-12-20(4)16(21)13-15-17(19(20)18(15,2)3)14-10-8-7-9-11-14/h7-11,15,17H,12-13H2,1-4H3/q+1