ethyl 1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=CN=CC=C3

InChI

InChI=1S/C18H23N3O2/c1-2-23-18(22)15-7-11-20(12-8-15)14-17-6-4-10-21(17)16-5-3-9-19-13-16/h3-6,9-10,13,15H,2,7-8,11-12,14H2,1H3/p+1