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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-methyl-piperonyl-ammonium Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-15-10-20(25(23-15)17-6-4-3-5-7-17)22-21(26)13-24(2)12-16-8-9-18-19(11-16)28-14-27-18/h3-11H,12-14H2,1-2H3,(H,22,26)/p+1