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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N5O3+ MolecularWeight: 396.46284

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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)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H25N5O3/c1-15-19(16(2)26(24-15)17-8-5-4-6-9-17)13-25(3)14-20(27)23-21(28)22-12-18-10-7-11-29-18/h4-11H,12-14H2,1-3H3,(H2,22,23,27,28)/p+1