(3S)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrazolyl)phenyl]-1-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-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=CN=CC=C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=CC=C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H23N5O/c27-21(24-19-7-1-8-20(13-19)26-12-4-10-23-26)18-6-3-11-25(16-18)15-17-5-2-9-22-14-17/h1-2,4-5,7-10,12-14,18H,3,6,11,15-16H2,(H,24,27)/p+1/t18-/m0/s1