ethyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H21N3O3S2/c1-4-26-20(25)18-15(16-6-5-11-27-16)13-28-19(18)21-17(24)12-23-9-7-14(8-10-23)22(2)3/h5-11,13H,4,12H2,1-3H3/p+1