2-[1-heptyl-4-(3-methylphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-heptyl-4-(3-methylphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-heptyl-4-(m-tolyl)-5-phenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-heptyl-4-(3-methylphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-heptyl-4-(3-methylphenyl)-5-phenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-heptyl-4-(m-tolyl)-5-phenyl-pyrazol-1-ium-1-yl]acetamide Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O/c1-3-4-5-6-10-16-28(19-24(26)29)25(21-13-8-7-9-14-21)23(18-27-28)22-15-11-12-20(2)17-22/h7-9,11-15,17-18H,3-6,10,16,19H2,1-2H3,(H-,26,29)/p+1