ethyl 2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H31N2O3S+ MolecularWeight: 367.52604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C[NH+]2CC(CC(C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3S/c1-6-24-19(23)15-8-16(12(2)3)25-18(15)20-17(22)11-21-9-13(4)7-14(5)10-21/h8,12-14H,6-7,9-11H2,1-5H3,(H,20,22)/p+1/t13-,14+