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

Systemtic Name: (4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; (4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; (4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; (4-methoxyphenyl)-(7-methyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)methanone Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2.C4H4O4/c1-17-8-12-7-13(9-17)11-18(10-12)16(19)14-3-5-15(20-2)6-4-14;5-3(6)1-2-4(7)8/h3-6,12-13H,7-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-