[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] thiophene-2-carboxylate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] thiophene-2-carboxylate Openeye Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl] ester Formula: C18H21N2O4S+ MolecularWeight: 361.43534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CS3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O4S/c21-17(13-24-18(22)16-2-1-11-25-16)19-15-5-3-14(4-6-15)12-20-7-9-23-10-8-20/h1-6,11H,7-10,12-13H2,(H,19,21)/p+1