2-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C15H13ClF3N2+ MolecularWeight: 313.72533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C15H12ClF3N2/c16-13-7-12(15(17,18)19)8-20-14(13)21-6-5-10-3-1-2-4-11(10)9-21/h1-4,7-8H,5-6,9H2/p+1