[(1S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylazaniumyl]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylazaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylazaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H30N4+2 MolecularWeight: 350.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH2+]CC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH2+]C[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C22H28N4/c1-17-21(18(2)26(24-17)20-13-9-6-10-14-20)15-23-16-22(25(3)4)19-11-7-5-8-12-19/h5-14,22-23H,15-16H2,1-4H3/p+2/t22-/m1/s1