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1,3,7-tris(phenylmethyl)purin-1-ium-2-one chloride

1,3,7-tris(phenylmethyl)purin-1-ium-2-one chloride

Systemtic Name:1,3,7-tris(phenylmethyl)purin-1-ium-2-one chloride
Openeye Name:1,3,7-tribenzylpurin-1-ium-2-one chloride
CAS Name:1,3,7-tris(phenylmethyl)-2-purin-1-iumone chloride
IUPAC Name:1,3,7-tribenzylpurin-1-ium-2-one chloride
Traditional Name:1,3,7-tribenzylpurin-1-ium-2-one chloride
Formula: C26H23ClN4O
MolecularWeight: 442.94002
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C=[N+](C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]


Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C=[N+](C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]


InChI

InChI=1S/C26H23N4O.ClH/c31-26-28(16-21-10-4-1-5-11-21)19-24-25(30(26)18-23-14-8-3-9-15-23)27-20-29(24)17-22-12-6-2-7-13-22;/h1-15,19-20H,16-18H2;1H/q+1;/p-1


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