N-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: 3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl-[3-(trifluoromethyl)phenyl]amine Formula: C13H16F3N2+ MolecularWeight: 257.27475

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CCC(=[NH+]CC1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H15F3N2/c14-13(15,16)10-5-4-6-11(9-10)18-12-7-2-1-3-8-17-12/h4-6,9H,1-3,7-8H2,(H,17,18)/p+1