(3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C21H23N5O/c27-21(24-18-8-6-16(7-9-18)20-10-12-23-25-20)17-4-3-13-26(14-17)15-19-5-1-2-11-22-19/h1-2,5-12,17H,3-4,13-15H2,(H,23,25)(H,24,27)/p+1/t17-/m0/s1