1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-yl-butan-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-yl-butan-1-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-yl-butan-1-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-(4-fluorophenyl)-4-(1-pyrrolidin-1-iumyl)-1-butanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-ylbutan-1-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(4-fluorophenyl)-4-pyrrolidin-1-ium-1-yl-butan-1-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C18H22FNO5 MolecularWeight: 351.369383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCC(=O)C2=CC=C(C=C2)F.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC[NH+](C1)CCCC(=O)C2=CC=C(C=C2)F.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C14H18FNO.C4H4O4/c15-13-7-5-12(6-8-13)14(17)4-3-11-16-9-1-2-10-16;5-3(6)1-2-4(7)8/h5-8H,1-4,9-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-