(2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-4-30-19(3)22(18(2)28-30)17-29-15-9-8-12-23(29)25(31)27-20-13-14-24(26-16-20)32-21-10-6-5-7-11-21/h5-7,10-11,13-14,16,23H,4,8-9,12,15,17H2,1-3H3,(H,27,31)/p+1/t23-/m0/s1