(3S)-1-(1H-pyrazol-5-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2/c27-21(16-5-4-12-26(14-16)15-17-9-11-23-25-17)24-19-7-1-2-8-20(19)28-18-6-3-10-22-13-18/h1-3,6-11,13,16H,4-5,12,14-15H2,(H,23,25)(H,24,27)/p+1/t16-/m0/s1