6-chloranyl-2-(3-phenylpropyl)-7H-purin-9-ium chloride

Systemtic Name: 6-chloranyl-2-(3-phenylpropyl)-7H-purin-9-ium chloride Openeye Name: 6-chloro-2-(3-phenylpropyl)-7H-purin-9-ium chloride CAS Name: 6-chloro-2-(3-phenylpropyl)-7H-purin-9-ium chloride IUPAC Name: 6-chloro-2-(3-phenylpropyl)-7H-purin-9-ium chloride Traditional Name: 6-chloro-2-(3-phenylpropyl)-7H-purin-9-ium chloride Formula: C14H14Cl2N4 MolecularWeight: 309.19376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=NC3=C(C(=N2)Cl)NC=[NH+]3.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=NC3=C(C(=N2)Cl)NC=[NH+]3.[Cl-]

InChI

InChI=1S/C14H13ClN4.ClH/c15-13-12-14(17-9-16-12)19-11(18-13)8-4-7-10-5-2-1-3-6-10;/h1-3,5-6,9H,4,7-8H2,(H,16,17,18,19);1H