N2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-2-ium-1,2-diamine

Systemtic Name: N2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-2-ium-1,2-diamine Openeye Name: N2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3H-isoindol-2-ium-1,2-diamine CAS Name: N2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3H-isoindol-2-ium-1,2-diamine IUPAC Name: 2-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-2-ium-1,2-diamine Traditional Name: (3-amino-1H-isoindol-2-ium-2-yl)-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine Formula: C14H11ClF3N4+ MolecularWeight: 327.71215

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC3=C(C=C(C=N3)C(F)(F)F)Cl)N

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC3=C(C=C(C=N3)C(F)(F)F)Cl)N

InChI

InChI=1S/C14H10ClF3N4/c15-11-5-9(14(16,17)18)6-20-13(11)21-22-7-8-3-1-2-4-10(8)12(22)19/h1-6,19H,7H2,(H,20,21)/p+1