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

Systemtic Name: (4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (4-chlorophenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C19H23ClN2O5 MolecularWeight: 394.84932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O.C4H4O4/c1-17-7-11-6-12(8-17)10-18(9-11)15(19)13-2-4-14(16)5-3-13;5-3(6)1-2-4(7)8/h2-5,11-12H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-