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

Systemtic Name: ethyl 4-(3,4-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-27-21(25)19-17(16-6-5-14(2)15(3)11-16)13-28-20(19)22-18(24)12-23-7-9-26-10-8-23/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,24)/p+1