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

Systemtic Name: ethyl 1-[[2-(4-tert-butylphenoxy)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(4-tert-butylphenoxy)thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-tert-butylphenoxy)-5-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-tert-butylphenoxy)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-tert-butylphenoxy)thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CN=C(S2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H30N2O3S/c1-5-26-20(25)16-10-12-24(13-11-16)15-19-14-23-21(28-19)27-18-8-6-17(7-9-18)22(2,3)4/h6-9,14,16H,5,10-13,15H2,1-4H3/p+1