ethyl-[4-(hydroxymethyl)-5-methyl-2-phenyl-1H-pyrazol-3-ylidene]-(2-methylprop-2-enyl)azanium

Systemtic Name: ethyl-[4-(hydroxymethyl)-5-methyl-2-phenyl-1H-pyrazol-3-ylidene]-(2-methylprop-2-enyl)azanium Openeye Name: ethyl-[4-(hydroxymethyl)-5-methyl-2-phenyl-1H-pyrazol-3-ylidene]-(2-methylallyl)ammonium CAS Name: ethyl-[4-(hydroxymethyl)-5-methyl-2-phenyl-1H-pyrazol-3-ylidene]-(2-methylprop-2-enyl)ammonium IUPAC Name: ethyl-[4-(hydroxymethyl)-5-methyl-2-phenyl-1H-pyrazol-3-ylidene]-(2-methylprop-2-enyl)azanium Traditional Name: ethyl-(2-methylallyl)-(5-methyl-4-methylol-2-phenyl-3-pyrazolin-3-ylidene)ammonium Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C(=C(NN1C2=CC=CC=C2)C)CO)CC(=C)C

Isomeric SMILES

CC[N+](=C1C(=C(NN1C2=CC=CC=C2)C)CO)CC(=C)C

InChI

InChI=1S/C17H23N3O/c1-5-19(11-13(2)3)17-16(12-21)14(4)18-20(17)15-9-7-6-8-10-15/h6-10,21H,2,5,11-12H2,1,3-4H3/p+1