1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]azanium Traditional Name: [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-methyl-piperonyl-ammonium Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H22N4O3/c1-11-17(12(2)21(4)19-11)18-16(22)9-20(3)8-13-5-6-14-15(7-13)24-10-23-14/h5-7H,8-10H2,1-4H3,(H,18,22)/p+1