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1-oxidanidyl-2-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]benzotriazol-1-ium

1-oxidanidyl-2-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]benzotriazol-1-ium

Systemtic Name:1-oxidanidyl-2-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]benzotriazol-1-ium
Openeye Name:1-oxido-2-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]benzotriazol-1-ium
CAS Name:1-oxido-2-[4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propoxy]phenyl]benzotriazol-1-ium
IUPAC Name:1-oxido-2-[4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]phenyl]benzotriazol-1-ium
Traditional Name:1-oxido-2-[4-[3-[4-(2-pyrimidyl)piperazino]propoxy]phenyl]benzotriazol-1-ium
Formula: C23H25N7O2
MolecularWeight: 431.4903
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=C(C=C2)N3N=C4C=CC=CC4=[N+]3[O-])C5=NC=CC=N5


Isomeric SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)N3N=C4C=CC=CC4=[N+]3[O-])C5=NC=CC=N5


InChI

InChI=1S/C23H25N7O2/c31-30-22-6-2-1-5-21(22)26-29(30)19-7-9-20(10-8-19)32-18-4-13-27-14-16-28(17-15-27)23-24-11-3-12-25-23/h1-3,5-12H,4,13-18H2


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