methyl 2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H26N2O3S/c1-14-9-15(2)11-23(10-14)12-18(24)22-20-19(21(25)26-3)17(13-27-20)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,22,24)/p+1/t14-,15+