N-[5-[[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-oxidanyl-pyridin-1-ium-2-yl]-N',N'-dimethyl-ethane-1,2-diamine

Systemtic Name: N-[5-[[(3-bromanyl-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-oxidanyl-pyridin-1-ium-2-yl]-N',N'-dimethyl-ethane-1,2-diamine Openeye Name: N-[5-[[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-hydroxy-pyridin-1-ium-2-yl]-N',N'-dimethyl-ethane-1,2-diamine CAS Name: N-[5-[[(3-bromo-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]methyl]-1-hydroxy-2-pyridin-1-iumyl]-N',N'-dimethylethane-1,2-diamine IUPAC Name: N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-hydroxypyridin-1-ium-2-yl]-N',N'-dimethylethane-1,2-diamine Traditional Name: 2-[[5-[[(3-bromo-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1-hydroxy-pyridin-1-ium-2-yl]amino]ethyl-dimethyl-amine Formula: C22H25BrN7O+ MolecularWeight: 483.3842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=[N+](C=C(C=C1)CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4)O

Isomeric SMILES

CN(C)CCNC1=[N+](C=C(C=C1)CNC2=CC(=NC3=C(C=NN23)Br)C4=CC=CC=C4)O

InChI

InChI=1S/C22H24BrN7O/c1-28(2)11-10-24-20-9-8-16(15-29(20)31)13-25-21-12-19(17-6-4-3-5-7-17)27-22-18(23)14-26-30(21)22/h3-9,12,14-15,31H,10-11,13H2,1-2H3,(H,25,26,27)/p+1