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

Systemtic Name: ethyl 2-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[N+]34CCN(CC3)CC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[N+]34CCN(CC3)CC4

InChI

InChI=1S/C22H27N3O3S/c1-3-28-22(27)20-19(17-7-5-4-6-8-17)16(2)29-21(20)23-18(26)15-25-12-9-24(10-13-25)11-14-25/h4-8H,3,9-15H2,1-2H3/p+1