[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(tert-butylcarbamoylamino)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2/c1-14-17(15(2)25(23-14)16-10-8-7-9-11-16)12-24(6)13-18(26)21-19(27)22-20(3,4)5/h7-11H,12-13H2,1-6H3,(H2,21,22,26,27)/p+1