1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=NC=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC2=NC=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N6/c1-3-7-18(8-4-1)16-28-13-11-19(12-14-28)27-22-21-15-26-29(23(21)25-17-24-22)20-9-5-2-6-10-20/h1-10,15,17,19H,11-14,16H2,(H,24,25,27)/p+1