methyl-[2-pentyl-9-(phenylmethyl)purin-6-yl]azanium chloride

Systemtic Name: methyl-[2-pentyl-9-(phenylmethyl)purin-6-yl]azanium chloride Openeye Name: (9-benzyl-2-pentyl-purin-6-yl)-methyl-ammonium chloride CAS Name: methyl-[2-pentyl-9-(phenylmethyl)-6-purinyl]ammonium chloride IUPAC Name: (9-benzyl-2-pentylpurin-6-yl)-methylazanium chloride Traditional Name: (2-amyl-9-benzyl-purin-6-yl)-methyl-ammonium chloride Formula: C18H24ClN5 MolecularWeight: 345.86966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCCCCC1=NC2=C(C(=N1)[NH2+]C)N=CN2CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H23N5.ClH/c1-3-4-6-11-15-21-17(19-2)16-18(22-15)23(13-20-16)12-14-9-7-5-8-10-14;/h5,7-10,13H,3-4,6,11-12H2,1-2H3,(H,19,21,22);1H