ethyl 5-aminocarbonyl-2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H22N4O4S/c1-5-26-18(25)14-11(2)15(16(19)24)27-17(14)20-13(23)10-22-8-6-12(7-9-22)21(3)4/h6-9H,5,10H2,1-4H3,(H2-,19,20,23,24,25)/p+1