N-[3-(1H-pyrazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-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=CC(=C2)C3=CC=NN3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CN=CC=C4

InChI

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