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

Systemtic Name: ethyl 3-[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[N+]34CCN(CC3)CC4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[N+]34CCN(CC3)CC4

InChI

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