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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H26N4O2/c1-4-25-18(24)16-7-10-22(11-8-16)13-17-6-5-9-23(17)19-20-14(2)12-15(3)21-19/h5-6,9,12,16H,4,7-8,10-11,13H2,1-3H3/p+1