3-phenyl-5-[(4-pyrimidin-2-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium

Systemtic Name: 3-phenyl-5-[(4-pyrimidin-2-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Openeye Name: 3-phenyl-5-[(4-pyrimidin-2-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium CAS Name: 3-phenyl-5-[[4-(2-pyrimidinyloxy)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium IUPAC Name: 3-phenyl-5-[(4-pyrimidin-2-yloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Traditional Name: 3-phenyl-5-[4-(2-pyrimidyloxy)benzyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium Formula: C23H22N5O+ MolecularWeight: 384.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1NN=C2C3=CC=CC=C3)CC4=CC=C(C=C4)OC5=NC=CC=N5

Isomeric SMILES

C1C[NH+](CC2=C1NN=C2C3=CC=CC=C3)CC4=CC=C(C=C4)OC5=NC=CC=N5

InChI

InChI=1S/C23H21N5O/c1-2-5-18(6-3-1)22-20-16-28(14-11-21(20)26-27-22)15-17-7-9-19(10-8-17)29-23-24-12-4-13-25-23/h1-10,12-13H,11,14-16H2,(H,26,27)/p+1