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

Systemtic Name: ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-acetamidothiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-acetamido-5-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-acetamidothiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-3-20-13(19)11-4-6-17(7-5-11)9-12-8-15-14(21-12)16-10(2)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)/p+1