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

Systemtic Name: ethyl 1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C16H21N3O2S/c1-2-21-15(20)13-5-9-18(10-6-13)12-14-4-3-8-19(14)16-17-7-11-22-16/h3-4,7-8,11,13H,2,5-6,9-10,12H2,1H3/p+1