4-[4-(2-cyclohexylethanoyl)phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 4-[4-(2-cyclohexylethanoyl)phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: 4-[4-(2-cyclohexylacetyl)phenyl]-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 4-[4-(2-cyclohexyl-1-oxoethyl)phenyl]-1-oxido-3-pyridin-1-iumcarboxylate IUPAC Name: 4-[4-(2-cyclohexylacetyl)phenyl]-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 4-[4-(2-cyclohexylacetyl)phenyl]-1-oxido-pyridin-1-ium-3-carboxylate Formula: C20H20NO4- MolecularWeight: 338.3771

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)C2=CC=C(C=C2)C3=C(C=[N+](C=C3)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC(=O)C2=CC=C(C=C2)C3=C(C=[N+](C=C3)[O-])C(=O)[O-]

InChI

InChI=1S/C20H21NO4/c22-19(12-14-4-2-1-3-5-14)16-8-6-15(7-9-16)17-10-11-21(25)13-18(17)20(23)24/h6-11,13-14H,1-5,12H2,(H,23,24)/p-1