4-(2-cyclohexylphenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxylic acid

Systemtic Name: 4-(2-cyclohexylphenyl)-1-oxidanidyl-pyridin-1-ium-3-carboxylic acid Openeye Name: 4-(2-cyclohexylphenyl)-1-oxido-pyridin-1-ium-3-carboxylic acid CAS Name: 4-(2-cyclohexylphenyl)-1-oxido-3-pyridin-1-iumcarboxylic acid IUPAC Name: 4-(2-cyclohexylphenyl)-1-oxidopyridin-1-ium-3-carboxylic acid Traditional Name: 4-(2-cyclohexylphenyl)-1-oxido-pyridin-1-ium-3-carboxylic acid Formula: C18H19NO3 MolecularWeight: 297.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=CC=C2C3=C(C=[N+](C=C3)[O-])C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=CC=C2C3=C(C=[N+](C=C3)[O-])C(=O)O

InChI

InChI=1S/C18H19NO3/c20-18(21)17-12-19(22)11-10-16(17)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,20,21)