N-(phenylmethyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-(phenylmethyl)-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-benzyl-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(phenylmethyl)-3-[[1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-benzyl-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-benzyl-3-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=NN4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)CC4=CC=NN4

InChI

InChI=1S/C23H26N4O2/c28-23(24-16-18-5-2-1-3-6-18)19-7-4-8-22(15-19)29-21-10-13-27(14-11-21)17-20-9-12-25-26-20/h1-9,12,15,21H,10-11,13-14,16-17H2,(H,24,28)(H,25,26)/p+1