5-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]-8-nitro-isoquinoline Formula: C19H16ClF3N5O2+ MolecularWeight: 438.81085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C19H15ClF3N5O2/c20-15-9-12(19(21,22)23)10-25-18(15)27-7-5-26(6-8-27)16-1-2-17(28(29)30)14-11-24-4-3-13(14)16/h1-4,9-11H,5-8H2/p+1