[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-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] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl] ester Formula: C22H24N3O4S+ MolecularWeight: 426.50866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C22H23N3O4S/c26-20(16-29-22(27)21-19(7-14-30-21)25-8-1-2-9-25)23-18-5-3-17(4-6-18)15-24-10-12-28-13-11-24/h1-9,14H,10-13,15-16H2,(H,23,26)/p+1