(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; (7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenyl-methanone Formula: C19H24N2O5 MolecularWeight: 360.40426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C[NH+]1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H20N2O.C4H4O4/c1-16-8-12-7-13(9-16)11-17(10-12)15(18)14-5-3-2-4-6-14;5-3(6)1-2-4(7)8/h2-6,12-13H,7-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-