8-(3-fluorophenyl)-9-prop-2-enyl-purin-9-ium-9-amine hydrochloride

Systemtic Name: 8-(3-fluorophenyl)-9-prop-2-enyl-purin-9-ium-9-amine hydrochloride Openeye Name: 9-allyl-8-(3-fluorophenyl)purin-9-ium-9-amine hydrochloride CAS Name: 8-(3-fluorophenyl)-9-prop-2-enyl-9-purin-9-iumamine hydrochloride IUPAC Name: 8-(3-fluorophenyl)-9-prop-2-enylpurin-9-ium-9-amine hydrochloride Traditional Name: [9-allyl-8-(3-fluorophenyl)purin-9-ium-9-yl]amine hydrochloride Formula: C14H14ClFN5+ MolecularWeight: 306.745863

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1(C(=NC2=CN=CN=C21)C3=CC(=CC=C3)F)N.Cl

Isomeric SMILES

C=CC[N+]1(C(=NC2=CN=CN=C21)C3=CC(=CC=C3)F)N.Cl

InChI

InChI=1S/C14H13FN5.ClH/c1-2-6-20(16)13(10-4-3-5-11(15)7-10)19-12-8-17-9-18-14(12)20;/h2-5,7-9H,1,6,16H2;1H/q+1;