ethyl 2-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H26N3O4S+ MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[N+]23CCN(CC2)CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C[N+]23CCN(CC2)CC3

InChI

InChI=1S/C18H25N3O4S/c1-4-25-18(24)15-12(2)16(13(3)22)26-17(15)19-14(23)11-21-8-5-20(6-9-21)7-10-21/h4-11H2,1-3H3/p+1