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

Systemtic Name: ethyl 2-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-2-27-21(26)19-17(16-6-4-3-5-7-16)15-28-20(19)22-18(25)14-24-11-8-23(9-12-24)10-13-24/h3-7,15H,2,8-14H2,1H3/p+1