methyl 1-[2-[[4-(2-chloranylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[4-(2-chloranylphenoxy)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-(2-chlorophenoxy)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[4-(2-chlorophenoxy)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H24ClN2O4+ MolecularWeight: 403.87926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O4/c1-27-21(26)15-10-12-24(13-11-15)14-20(25)23-16-6-8-17(9-7-16)28-19-5-3-2-4-18(19)22/h2-9,15H,10-14H2,1H3,(H,23,25)/p+1