methyl 5-bromanyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-bromanyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-bromo-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20BrN2O4S+ MolecularWeight: 440.3314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O4S/c1-24-18(23)15-14(12-5-3-2-4-6-12)16(19)26-17(15)20-13(22)11-21-7-9-25-10-8-21/h2-6H,7-11H2,1H3,(H,20,22)/p+1