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

Systemtic Name: 2-[1-[4-(dimethylamino)butyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[4-(dimethylamino)butyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[4-(dimethylamino)butyl]-4,5-diphenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[4-(dimethylamino)butyl]-4,5-diphenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[4-(dimethylamino)butyl]-4,5-diphenyl-pyrazol-1-ium-1-yl]acetamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O/c1-26(2)15-9-10-16-27(18-22(24)28)23(20-13-7-4-8-14-20)21(17-25-27)19-11-5-3-6-12-19/h3-8,11-14,17H,9-10,15-16,18H2,1-2H3,(H-,24,28)/p+1