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

Systemtic Name: N-[(4-chlorophenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine Openeye Name: N-[(4-chlorophenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine CAS Name: N-[(4-chlorophenyl)methyl]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-1-ium-2-amine IUPAC Name: N-[(4-chlorophenyl)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]-(4-chlorobenzyl)amine Formula: C17H11ClF6N3+ MolecularWeight: 406.732759

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=[NH+]C3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=[NH+]C3=C(C=C2)C(=CC(=N3)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C17H10ClF6N3/c18-10-3-1-9(2-4-10)8-25-14-6-5-11-12(16(19,20)21)7-13(17(22,23)24)26-15(11)27-14/h1-7H,8H2,(H,25,26,27)/p+1