1,3-benzodioxol-5-ylmethyl-[(3-methyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-methyl-6-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-methyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-methyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-methyl-6-oxo-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]azanium Traditional Name: (6-keto-3-methyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl-piperonyl-ammonium Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C2C=C(C(=O)N=C2N(N1)C3=CC=CC=C3)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O3/c1-14-18-10-16(12-23-11-15-7-8-19-20(9-15)29-13-28-19)22(27)24-21(18)26(25-14)17-5-3-2-4-6-17/h2-10,23,25H,11-13H2,1H3/p+1