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9-(phenylmethyl)-6-pyrrolidin-1-ium-1-yl-purine chloride

9-(phenylmethyl)-6-pyrrolidin-1-ium-1-yl-purine chloride

Systemtic Name:9-(phenylmethyl)-6-pyrrolidin-1-ium-1-yl-purine chloride
Openeye Name:9-benzyl-6-pyrrolidin-1-ium-1-yl-purine chloride
CAS Name:9-(phenylmethyl)-6-(1-pyrrolidin-1-iumyl)purine chloride
IUPAC Name:9-benzyl-6-pyrrolidin-1-ium-1-ylpurine chloride
Traditional Name:9-benzyl-6-pyrrolidin-1-ium-1-yl-purine chloride
Formula: C16H18ClN5
MolecularWeight: 315.80062
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2=NC=NC3=C2N=CN3CC4=CC=CC=C4.[Cl-]


Isomeric SMILES

C1CC[NH+](C1)C2=NC=NC3=C2N=CN3CC4=CC=CC=C4.[Cl-]


InChI

InChI=1S/C16H17N5.ClH/c1-2-6-13(7-3-1)10-21-12-19-14-15(17-11-18-16(14)21)20-8-4-5-9-20;/h1-3,6-7,11-12H,4-5,8-10H2;1H


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