ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(3-morpholin-4-ium-4-ylpropanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-4-28-22(26)20-18(17-6-5-15(2)16(3)13-17)14-29-21(20)23-19(25)7-8-24-9-11-27-12-10-24/h5-6,13-14H,4,7-12H2,1-3H3,(H,23,25)/p+1