ethyl 1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=C(N=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H22ClN3O2/c1-2-24-18(23)14-7-11-21(12-8-14)13-15-5-4-10-22(15)16-6-3-9-20-17(16)19/h3-6,9-10,14H,2,7-8,11-13H2,1H3/p+1