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

Systemtic Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-chlorophenyl)methanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-chlorophenyl)methanone; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-chlorophenyl)methanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-chlorophenyl)methanone; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-(4-chlorophenyl)methanone; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C22H29ClN2O5 MolecularWeight: 436.92906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O.C4H4O4/c1-2-3-8-20-10-14-9-15(11-20)13-21(12-14)18(22)16-4-6-17(19)7-5-16;5-3(6)1-2-4(7)8/h4-7,14-15H,2-3,8-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-