[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H24ClN2O5+ MolecularWeight: 419.87866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3)Cl

InChI

InChI=1S/C21H23ClN2O5/c1-27-19-7-6-17(12-18(19)22)23-20(25)14-29-21(26)16-4-2-15(3-5-16)13-24-8-10-28-11-9-24/h2-7,12H,8-11,13-14H2,1H3,(H,23,25)/p+1