2-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2-pyrazol-1-yl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 2-(1-pyrazolyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2-pyrazol-1-yl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC=CC=C3N4C=CC=N4

InChI

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