[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24FN2O4+ MolecularWeight: 387.424663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)F

InChI

InChI=1S/C21H23FN2O4/c1-15-2-7-19(18(22)12-15)23-20(25)14-28-21(26)17-5-3-16(4-6-17)13-24-8-10-27-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)/p+1