(2R)-N-(4-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(4-pyridylmethyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(1-pyrazolyl)phenyl]-1-(pyridin-4-ylmethyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(pyridin-4-ylmethyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-pyrazol-1-ylphenyl)-1-(4-pyridylmethyl)piperidin-1-ium-2-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=NC=C4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c27-21(24-18-5-7-19(8-6-18)26-15-3-11-23-26)20-4-1-2-14-25(20)16-17-9-12-22-13-10-17/h3,5-13,15,20H,1-2,4,14,16H2,(H,24,27)/p+1/t20-/m1/s1