2-[1-[6-(dimethylamino)hexyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[6-(dimethylamino)hexyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[6-(dimethylamino)hexyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[6-(dimethylamino)hexyl]-4,5-diphenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[6-(dimethylamino)hexyl]-4,5-diphenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[6-(dimethylamino)hexyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]acetamide Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCC[N+]1(C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CN(C)CCCCCC[N+]1(C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C25H32N4O/c1-28(2)17-11-3-4-12-18-29(20-24(26)30)25(22-15-9-6-10-16-22)23(19-27-29)21-13-7-5-8-14-21/h5-10,13-16,19H,3-4,11-12,17-18,20H2,1-2H3,(H-,26,30)/p+1