(E)-7-(1-oxidanidylpyridin-1-ium-3-yl)-7-phenyl-hept-6-enoic acid

Systemtic Name: (E)-7-(1-oxidanidylpyridin-1-ium-3-yl)-7-phenyl-hept-6-enoic acid Openeye Name: (E)-7-(1-oxidopyridin-1-ium-3-yl)-7-phenyl-hept-6-enoic acid CAS Name: (E)-7-(1-oxido-3-pyridin-1-iumyl)-7-phenyl-6-heptenoic acid IUPAC Name: (E)-7-(1-oxidopyridin-1-ium-3-yl)-7-phenylhept-6-enoic acid Traditional Name: (E)-7-(1-oxidopyridin-1-ium-3-yl)-7-phenyl-hept-6-enoic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=C[N+](=CC=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\CCCCC(=O)O)/C2=C[N+](=CC=C2)[O-]

InChI

InChI=1S/C18H19NO3/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19(22)14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11+