ethyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3-morpholin-4-ium-4-ylpropanoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C20H24N2O4S/c1-2-26-20(24)16-14-17(15-6-4-3-5-7-15)27-19(16)21-18(23)8-9-22-10-12-25-13-11-22/h3-7,14H,2,8-13H2,1H3,(H,21,23)/p+1