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

Systemtic Name: methyl 5-methyl-2-(2-morpholin-4-ium-4-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C[NH+]2CCOCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C[NH+]2CCOCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-13-16(14-6-4-3-5-7-14)17(19(23)24-2)18(26-13)20-15(22)12-21-8-10-25-11-9-21/h3-7H,8-12H2,1-2H3,(H,20,22)/p+1