[9-(3,3-diphenylpropyl)purin-6-yl]-methyl-azanium chloride

Systemtic Name: [9-(3,3-diphenylpropyl)purin-6-yl]-methyl-azanium chloride Openeye Name: [9-(3,3-diphenylpropyl)purin-6-yl]-methyl-ammonium chloride CAS Name: [9-(3,3-diphenylpropyl)-6-purinyl]-methylammonium chloride IUPAC Name: [9-(3,3-diphenylpropyl)purin-6-yl]-methylazanium chloride Traditional Name: [9-(3,3-diphenylpropyl)purin-6-yl]-methyl-ammonium chloride Formula: C21H22ClN5 MolecularWeight: 379.88588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=NC=NC2=C1N=CN2CCC(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C[NH2+]C1=NC=NC2=C1N=CN2CCC(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H21N5.ClH/c1-22-20-19-21(24-14-23-20)26(15-25-19)13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,14-15,18H,12-13H2,1H3,(H,22,23,24);1H