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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]ethyl]-piperonyl-ammonium Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4/c1-14-20(21(27)25(24(14)2)16-6-4-3-5-7-16)23-19(26)12-22-11-15-8-9-17-18(10-15)29-13-28-17/h3-10,22H,11-13H2,1-2H3,(H,23,26)/p+1