methyl-[9-(phenylmethyl)-2-(3-phenylpropyl)purin-6-yl]azanium chloride

Systemtic Name: methyl-[9-(phenylmethyl)-2-(3-phenylpropyl)purin-6-yl]azanium chloride Openeye Name: [9-benzyl-2-(3-phenylpropyl)purin-6-yl]-methyl-ammonium chloride CAS Name: methyl-[9-(phenylmethyl)-2-(3-phenylpropyl)-6-purinyl]ammonium chloride IUPAC Name: [9-benzyl-2-(3-phenylpropyl)purin-6-yl]-methylazanium chloride Traditional Name: [9-benzyl-2-(3-phenylpropyl)purin-6-yl]-methyl-ammonium chloride Formula: C22H24ClN5 MolecularWeight: 393.91246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)CCCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)CCCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H23N5.ClH/c1-23-21-20-22(27(16-24-20)15-18-11-6-3-7-12-18)26-19(25-21)14-8-13-17-9-4-2-5-10-17;/h2-7,9-12,16H,8,13-15H2,1H3,(H,23,25,26);1H