ethyl (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=CN2C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CC=CN2C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H26N4O2/c1-4-25-18(24)16-7-5-9-22(12-16)13-17-8-6-10-23(17)19-20-14(2)11-15(3)21-19/h6,8,10-11,16H,4-5,7,9,12-13H2,1-3H3/p+1/t16-/m1/s1