2-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purine

Systemtic Name: 2-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purine Openeye Name: 2-chloro-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-7H-purine CAS Name: 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-7H-purine IUPAC Name: 2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-7H-purine Traditional Name: 2-chloro-6-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-7H-purine Formula: C18H20ClN6+ MolecularWeight: 355.8446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C18H19ClN6/c19-18-22-16-15(20-13-21-16)17(23-18)25-11-9-24(10-12-25)8-4-7-14-5-2-1-3-6-14/h1-7,13H,8-12H2,(H,20,21,22,23)/p+1/b7-4+