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

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-ethyl-ammonium CAS Name: (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-ethylazanium Traditional Name: benzyl-ethyl-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H25N3O/c1-4-23(15-18-11-7-5-8-12-18)16-20-17(2)22(3)24(21(20)25)19-13-9-6-10-14-19/h5-14H,4,15-16H2,1-3H3/p+1