ethyl 1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-chlorothiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-chloro-5-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-chlorothiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C12H18ClN2O2S+ MolecularWeight: 289.80152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(S2)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(S2)Cl

InChI

InChI=1S/C12H17ClN2O2S/c1-2-17-11(16)9-3-5-15(6-4-9)8-10-7-14-12(13)18-10/h7,9H,2-6,8H2,1H3/p+1