[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H27N2O4S+ MolecularWeight: 415.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c25-21(23-10-15-29-20-4-2-1-3-5-20)17-28-22(26)19-8-6-18(7-9-19)16-24-11-13-27-14-12-24/h1-9H,10-17H2,(H,23,25)/p+1