N-(4-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(4-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(4-pyrazol-1-ylphenyl)-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1-pyrazolyl)phenyl]-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-(4-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(4-pyrazol-1-ylphenyl)-1-(4-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c27-21(24-19-2-4-20(5-3-19)26-13-1-10-23-26)18-8-14-25(15-9-18)16-17-6-11-22-12-7-17/h1-7,10-13,18H,8-9,14-16H2,(H,24,27)/p+1