ethyl 2-[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]ethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-[dimethylamino(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(dimethylcarbamoyl)piperidin-1-ium-1-yl]acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O5S/c1-6-29-20(28)15-12(2)16(17(26)21-3)30-18(15)22-14(25)11-24-9-7-13(8-10-24)19(27)23(4)5/h13H,6-11H2,1-5H3,(H,21,26)(H,22,25)/p+1