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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-6-15(7-2)16-8-10-22(11-9-16)12-17(23)21-19-18(20(24)25-5)13(3)14(4)26-19/h8-11,15H,6-7,12H2,1-5H3/p+1