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

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCCCC3C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C[NH+]3CCCC[C@@H]3C

InChI

InChI=1S/C18H26N2O3S/c1-3-23-18(22)16-14(13-7-8-13)11-24-17(16)19-15(21)10-20-9-5-4-6-12(20)2/h11-13H,3-10H2,1-2H3,(H,19,21)/p+1/t12-/m0/s1