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

Systemtic Name: methyl 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(2-phenylthiazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-phenyl-4-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-phenylthiazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H20N2O2S/c1-21-17(20)14-7-9-19(10-8-14)11-15-12-22-16(18-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3/p+1