(3R)-1-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O2S/c1-23-15-5-4-12(18)7-14(15)17-20-13(10-24-17)9-21-6-2-3-11(8-21)16(19)22/h4-5,7,10-11H,2-3,6,8-9H2,1H3,(H2,19,22)/p+1/t11-/m1/s1