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

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(2-methyl-5-thiazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN=C(S2)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN2O2S/c1-3-25-19(24)20(12-16-5-4-6-17(21)11-16)7-9-23(10-8-20)14-18-13-22-15(2)26-18/h4-6,11,13H,3,7-10,12,14H2,1-2H3/p+1