4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C26H25N6+ MolecularWeight: 421.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C26H24N6/c1-2-10-22(11-3-1)32-26-24(17-29-32)25(27-19-28-26)31-15-13-30(14-16-31)18-21-9-6-8-20-7-4-5-12-23(20)21/h1-12,17,19H,13-16,18H2/p+1