N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine Traditional Name: [5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-yl]-p-anisyl-amine Formula: C18H14F6N3O+ MolecularWeight: 402.313679

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=[NH+]C3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=[NH+]C3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H13F6N3O/c1-28-11-4-2-10(3-5-11)9-25-15-7-6-12-13(17(19,20)21)8-14(18(22,23)24)26-16(12)27-15/h2-8H,9H2,1H3,(H,25,26,27)/p+1