2-[4-(4-methoxyphenyl)-5-phenyl-1-propyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)-5-phenyl-1-propyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-methoxyphenyl)-5-phenyl-1-propyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)-5-phenyl-1-propyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)-5-phenyl-1-propylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[4-(4-methoxyphenyl)-5-phenyl-1-propyl-pyrazol-1-ium-1-yl]acetamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=C(C=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCC[N+]1(C(=C(C=N1)C2=CC=C(C=C2)OC)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C21H23N3O2/c1-3-13-24(15-20(22)25)21(17-7-5-4-6-8-17)19(14-23-24)16-9-11-18(26-2)12-10-16/h4-12,14H,3,13,15H2,1-2H3,(H-,22,25)/p+1