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

Systemtic Name: ethyl 1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-3-24-19(23)16-9-12-21(13-10-16)14-17-7-5-11-22(17)18-8-4-6-15(2)20-18/h4-8,11,16H,3,9-10,12-14H2,1-2H3/p+1