phenyl 4-(4-fluoranyl-1,2-benzoxazol-3-yl)-1-methyl-piperidin-1-ium-1-carboxylate

Systemtic Name: phenyl 4-(4-fluoranyl-1,2-benzoxazol-3-yl)-1-methyl-piperidin-1-ium-1-carboxylate Openeye Name: phenyl 4-(4-fluoro-1,2-benzoxazol-3-yl)-1-methyl-piperidin-1-ium-1-carboxylate CAS Name: 4-(4-fluoro-1,2-benzoxazol-3-yl)-1-methyl-1-piperidin-1-iumcarboxylic acid phenyl ester IUPAC Name: phenyl 4-(4-fluoro-1,2-benzoxazol-3-yl)-1-methylpiperidin-1-ium-1-carboxylate Traditional Name: 4-(4-fluoroindoxazen-3-yl)-1-methyl-piperidin-1-ium-1-carboxylic acid phenyl ester Formula: C20H20FN2O3+ MolecularWeight: 355.382803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2=NOC3=C2C(=CC=C3)F)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(CC1)C2=NOC3=C2C(=CC=C3)F)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C20H20FN2O3/c1-23(20(24)25-15-6-3-2-4-7-15)12-10-14(11-13-23)19-18-16(21)8-5-9-17(18)26-22-19/h2-9,14H,10-13H2,1H3/q+1