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

Systemtic Name: (3R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(p-tolyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(4-methylphenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(p-tolyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H21N3OS/c1-12-4-6-13(7-5-12)17-19-15(11-22-17)10-20-8-2-3-14(9-20)16(18)21/h4-7,11,14H,2-3,8-10H2,1H3,(H2,18,21)/p+1/t14-/m1/s1