N-(6-phenoxypyridin-3-yl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)CCCN4C=CC=N4

InChI

InChI=1S/C23H27N5O2/c29-23(19-10-16-27(17-11-19)13-5-15-28-14-4-12-25-28)26-20-8-9-22(24-18-20)30-21-6-2-1-3-7-21/h1-4,6-9,12,14,18-19H,5,10-11,13,15-17H2,(H,26,29)/p+1