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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-5-6-14-7-9-20(10-8-14)11-15(21)19-17-16(18(22)23-4)12(2)13(3)24-17/h7-10H,5-6,11H2,1-4H3/p+1