4-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[2-(1-naphthyloxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[2-(1-naphthalenyloxy)ethyl]-1-piperazin-4-iumyl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(2-naphthalen-1-yloxyethyl)piperazin-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-[2-(1-naphthoxy)ethyl]piperazin-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C27H27N6O+ MolecularWeight: 451.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC3=CC=CC=C32)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC3=CC=CC=C32)C4=NC=NC5=C4C=NN5C6=CC=CC=C6

InChI

InChI=1S/C27H26N6O/c1-2-9-22(10-3-1)33-27-24(19-30-33)26(28-20-29-27)32-15-13-31(14-16-32)17-18-34-25-12-6-8-21-7-4-5-11-23(21)25/h1-12,19-20H,13-18H2/p+1