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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CN=C(C=C3)OC4=CC=CC=C4

InChI

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