butyl-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: butyl-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: butyl-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: butyl-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: butyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: butyl-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-methyl-ammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCC[NH+](C)CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C17H25N3O/c1-5-6-12-18(3)13-16-14(2)19(4)20(17(16)21)15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3/p+1