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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C[NH+]2CCCC(C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)C[NH+]2CCC[C@@H](C2)C

InChI

InChI=1S/C19H29N3O4S/c1-6-26-19(25)15-13(3)16(18(24)21(4)5)27-17(15)20-14(23)11-22-9-7-8-12(2)10-22/h12H,6-11H2,1-5H3,(H,20,23)/p+1/t12-/m0/s1