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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl]azanium Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [(2R)-1-anilino-1-oxopropan-2-yl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [(1R)-2-anilino-2-keto-1-methyl-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)C(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-16-21(17(2)26(24-16)20-13-9-6-10-14-20)15-25(4)18(3)22(27)23-19-11-7-5-8-12-19/h5-14,18H,15H2,1-4H3,(H,23,27)/p+1/t18-/m1/s1