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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl-methyl-phenethyl-azanium Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl-methyl-phenethyl-ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl-methyl-phenethylammonium IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl-methyl-phenethylazanium Traditional Name: (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl-methyl-phenethyl-ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-17-20(16-22(2)15-14-18-10-6-4-7-11-18)21(25)24(23(17)3)19-12-8-5-9-13-19/h4-13H,14-16H2,1-3H3/p+1