[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C20H22ClN2O4+ MolecularWeight: 389.85268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN2O4/c21-17-2-1-3-18(12-17)22-19(24)14-27-20(25)16-6-4-15(5-7-16)13-23-8-10-26-11-9-23/h1-7,12H,8-11,13-14H2,(H,22,24)/p+1