(3R)-1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H21N3O2S/c1-22-15-6-4-12(5-7-15)17-19-14(11-23-17)10-20-8-2-3-13(9-20)16(18)21/h4-7,11,13H,2-3,8-10H2,1H3,(H2,18,21)/p+1/t13-/m1/s1