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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N4O3/c1-15-19(16(2)26(24-15)18-7-5-4-6-8-18)12-25(3)13-22(27)23-17-9-10-20-21(11-17)29-14-28-20/h4-11H,12-14H2,1-3H3,(H,23,27)/p+1