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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C18H25N4O3+ MolecularWeight: 345.4161

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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)NC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3/c1-12-16(11-21(4)14(3)17(23)19-18(24)25-5)13(2)22(20-12)15-9-7-6-8-10-15/h6-10,14H,11H2,1-5H3,(H,19,23,24)/p+1/t14-/m1/s1