(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]-methyl-ammonium Formula: C24H31N4O2+ MolecularWeight: 407.52854

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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)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)[C@@H](C)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H30N4O2/c1-17-23(18(2)28(26-17)21-9-7-6-8-10-21)16-27(4)19(3)24(29)25-15-20-11-13-22(30-5)14-12-20/h6-14,19H,15-16H2,1-5H3,(H,25,29)/p+1/t19-/m0/s1