2-[(2-methoxy-4-methyl-phenoxy)methyl]-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]oxazole-4-carboxamide CAS Name: 2-[(2-methoxy-4-methylphenoxy)methyl]-N-[[(2R)-1-methyl-2-piperidin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(2-methoxy-4-methylphenoxy)methyl]-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(2-methoxy-4-methyl-phenoxy)methyl]-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]oxazole-4-carboxamide Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=NC(=CO2)C(=O)NCC3CCCC[NH+]3C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=NC(=CO2)C(=O)NC[C@H]3CCCC[NH+]3C)OC

InChI

InChI=1S/C20H27N3O4/c1-14-7-8-17(18(10-14)25-3)26-13-19-22-16(12-27-19)20(24)21-11-15-6-4-5-9-23(15)2/h7-8,10,12,15H,4-6,9,11,13H2,1-3H3,(H,21,24)/p+1/t15-/m1/s1