methyl 1-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-phenoxy-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-phenoxy-anilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-phenoxy-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=C(C=CC(=C2)Cl)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3

InChI

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