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

Systemtic Name: ethyl 5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O4S/c1-3-27-21(25)19-18(16-7-5-4-6-8-16)15(2)28-20(19)22-17(24)9-10-23-11-13-26-14-12-23/h4-8H,3,9-14H2,1-2H3,(H,22,24)/p+1