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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O3/c1-16-20(17(2)27(25-16)19-7-5-4-6-8-19)13-26(3)14-23(28)24-12-18-9-10-21-22(11-18)30-15-29-21/h4-11H,12-15H2,1-3H3,(H,24,28)/p+1