6-iodanylpurin-9-id-2-amine; triethyl-(phenylmethyl)azanium

Systemtic Name: 6-iodanylpurin-9-id-2-amine; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; 6-iodopurin-9-id-2-amine CAS Name: 6-iodo-2-purin-9-idamine; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; 6-iodopurin-9-id-2-amine Traditional Name: benzyl(triethyl)ammonium; (6-iodopurin-9-id-2-yl)amine Formula: C18H25IN6 MolecularWeight: 452.33577

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=NC2=C([N-]1)N=C(N=C2I)N

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=NC2=C([N-]1)N=C(N=C2I)N

InChI

InChI=1S/C13H22N.C5H3IN5/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;6-3-2-4(9-1-8-2)11-5(7)10-3/h7-11H,4-6,12H2,1-3H3;1H,(H2-,7,8,9,10,11)/q+1;-1