2-[1-[3-(dimethylamino)propyl]-3,4-diphenyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[3-(dimethylamino)propyl]-3,4-diphenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[3-(dimethylamino)propyl]-3,4-diphenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[3-(dimethylamino)propyl]-3,4-diphenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[3-(dimethylamino)propyl]-3,4-diphenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[3-(dimethylamino)propyl]-3,4-diphenyl-pyrazol-1-ium-1-yl]acetamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O/c1-25(2)14-9-15-26(17-21(23)27)16-20(18-10-5-3-6-11-18)22(24-26)19-12-7-4-8-13-19/h3-8,10-13,16H,9,14-15,17H2,1-2H3,(H-,23,27)/p+1