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

Systemtic Name: 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-(1H-pyrazol-4-yl)-N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-(1H-pyrazol-4-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)C4=CNN=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c27-21(17-6-3-5-16(11-17)18-12-23-24-13-18)25-20-8-4-10-26(15-20)14-19-7-1-2-9-22-19/h1-3,5-7,9,11-13,20H,4,8,10,14-15H2,(H,23,24)(H,25,27)/p+1/t20-/m0/s1