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

Systemtic Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-4-pyrazolyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c1-2-28-17-18(14-25-28)16-27-13-7-6-10-21(27)23(29)26-19-11-12-22(24-15-19)30-20-8-4-3-5-9-20/h3-5,8-9,11-12,14-15,17,21H,2,6-7,10,13,16H2,1H3,(H,26,29)/p+1/t21-/m0/s1