(2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-methyl-4-pyrazolyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2/c1-26-15-17(13-24-26)16-27-12-6-5-9-20(27)22(28)25-18-10-11-21(23-14-18)29-19-7-3-2-4-8-19/h2-4,7-8,10-11,13-15,20H,5-6,9,12,16H2,1H3,(H,25,28)/p+1/t20-/m0/s1