methyl 5-(4-tert-butylphenyl)-3-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-(4-tert-butylphenyl)-3-(2-morpholin-4-ium-4-ylethanoylamino)thiophene-2-carboxylate Openeye Name: methyl 5-(4-tert-butylphenyl)-3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-tert-butylphenyl)-3-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-tert-butylphenyl)-3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-tert-butylphenyl)-3-[(2-morpholin-4-ium-4-ylacetyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)NC(=O)C[NH+]3CCOCC3

InChI

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