3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: 3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 3-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCCN3C=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCCN3C=CC=N3)CCC4=CC=CC=C4

InChI

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