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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H22N2O4S/c22-18(20-12-17-2-1-11-26-17)14-25-19(23)16-5-3-15(4-6-16)13-21-7-9-24-10-8-21/h1-6,11H,7-10,12-14H2,(H,20,22)/p+1