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

Systemtic Name: N-(phenylmethyl)-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-benzyl-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-(phenylmethyl)-3-[[1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-benzyl-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-benzyl-3-[1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)CCCN4C=CC=N4

InChI

InChI=1S/C25H30N4O2/c30-25(26-20-21-7-2-1-3-8-21)22-9-4-10-24(19-22)31-23-11-17-28(18-12-23)14-6-16-29-15-5-13-27-29/h1-5,7-10,13,15,19,23H,6,11-12,14,16-18,20H2,(H,26,30)/p+1