4-phenyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-phenyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-phenyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-phenyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-phenyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-phenyl-N-[[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methyl]benzamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O/c28-23(21-10-8-20(9-11-21)19-6-2-1-3-7-19)24-15-18-5-4-14-27(16-18)17-22-12-13-25-26-22/h1-3,6-13,18H,4-5,14-17H2,(H,24,28)(H,25,26)/p+1/t18-/m1/s1