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

Systemtic Name: ethyl 1-[[2-(4-azanylphenoxy)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-(4-aminophenoxy)thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-(4-aminophenoxy)-5-thiazolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-(4-aminophenoxy)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-(4-aminophenoxy)thiazol-5-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-23-17(22)13-7-9-21(10-8-13)12-16-11-20-18(25-16)24-15-5-3-14(19)4-6-15/h3-6,11,13H,2,7-10,12,19H2,1H3/p+1