3-ethyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-ium 1-oxide

Systemtic Name: 3-ethyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-ium 1-oxide Openeye Name: 3-ethyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-ium 1-oxide CAS Name: 3-ethyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-ium 1-oxide IUPAC Name: 3-ethyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-ium 1-oxide Traditional Name: 3-ethyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-ium 1-oxide Formula: C20H21F3NO2+ MolecularWeight: 364.38145

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+](=O)C2=CC=CC(=C2CC1C3=CC=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CCC1C[N+](=O)C2=CC=CC(=C2CC1C3=CC=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C20H21F3NO2/c1-3-13-12-24(25)19-6-4-5-18(20(21,22)23)17(19)11-16(13)14-7-9-15(26-2)10-8-14/h4-10,13,16H,3,11-12H2,1-2H3/q+1