ethyl 4,5-dimethyl-2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H25N2O3S+ MolecularWeight: 361.4784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OCC

InChI

InChI=1S/C19H24N2O3S/c1-5-7-15-8-10-21(11-9-15)12-16(22)20-18-17(19(23)24-6-2)13(3)14(4)25-18/h8-11H,5-7,12H2,1-4H3/p+1