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

Systemtic Name: methyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C17H21N3O3S/c1-11-12(2)24-16(15(11)17(22)23-5)18-14(21)10-20-8-6-13(7-9-20)19(3)4/h6-9H,10H2,1-5H3/p+1