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

Systemtic Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: 4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: 4-(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=C(C=C2)C(=O)NCCN3C=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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