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

Systemtic Name: ethyl 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+]3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[NH+]3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-27-22(26)20-18(17-8-6-5-7-9-17)14-28-21(20)23-19(25)13-24-11-15(2)10-16(3)12-24/h5-9,14-16H,4,10-13H2,1-3H3,(H,23,25)/p+1/t15-,16-/m1/s1