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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: benzyl-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-methyl-ammonium Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c1-16-19(15-21(2)14-17-10-6-4-7-11-17)20(24)23(22(16)3)18-12-8-5-9-13-18/h4-13H,14-15H2,1-3H3/p+1