5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1H-pyrazole-3-carboxamide CAS Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-1-methyl-2-piperidin-1-iumyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-[(2-chloro-4-methoxy-phenoxy)methyl]-N-methyl-N-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]-1H-pyrazole-3-carboxamide Formula: C20H28ClN4O3+ MolecularWeight: 407.91432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CN(C)C(=O)C2=NNC(=C2)COC3=C(C=C(C=C3)OC)Cl

Isomeric SMILES

C[NH+]1CCCC[C@@H]1CN(C)C(=O)C2=NNC(=C2)COC3=C(C=C(C=C3)OC)Cl

InChI

InChI=1S/C20H27ClN4O3/c1-24-9-5-4-6-15(24)12-25(2)20(26)18-10-14(22-23-18)13-28-19-8-7-16(27-3)11-17(19)21/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)/p+1/t15-/m1/s1