ethyl (3S)-1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26N3O2+ MolecularWeight: 328.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2/c1-3-24-19(23)16-8-5-11-21(13-16)14-17-9-6-12-22(17)18-10-4-7-15(2)20-18/h4,6-7,9-10,12,16H,3,5,8,11,13-14H2,1-2H3/p+1/t16-/m0/s1