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

Systemtic Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide Openeye Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide CAS Name: 4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-[3-(1-pyrazolyl)propyl]benzamide IUPAC Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide Traditional Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCCCN3C=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)NCCCN3C=CC=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c31-26(27-15-4-17-30-18-5-16-28-30)23-8-10-24(11-9-23)32-25-13-20-29(21-14-25)19-12-22-6-2-1-3-7-22/h1-3,5-11,16,18,25H,4,12-15,17,19-21H2,(H,27,31)/p+1