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

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC[NH+]2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC[NH+]2CCC(CC2)C

InChI

InChI=1S/C18H28N2O3S/c1-5-23-18(22)16-13(3)14(4)24-17(16)19-15(21)8-11-20-9-6-12(2)7-10-20/h12H,5-11H2,1-4H3,(H,19,21)/p+1