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

Systemtic Name: 3-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-pyrazol-1-yl-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-(1-pyrazolyl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-pyrazol-1-yl-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-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=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C21H23N5O/c27-21(17-6-3-9-20(14-17)26-13-5-11-23-26)24-19-8-4-12-25(16-19)15-18-7-1-2-10-22-18/h1-3,5-7,9-11,13-14,19H,4,8,12,15-16H2,(H,24,27)/p+1/t19-/m0/s1