2-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)-N,N-dimethyl-ethanamine

Systemtic Name: 2-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)-N,N-dimethyl-ethanamine Openeye Name: 2-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)-N,N-dimethyl-ethanamine CAS Name: 2-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)-N,N-dimethylethanamine IUPAC Name: 2-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)-N,N-dimethylethanamine Traditional Name: 2-(9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)ethyl-dimethyl-amine Formula: C16H21N2O+ MolecularWeight: 257.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[N+]12CC=CC1=COC3=CC=CC=C3C2

Isomeric SMILES

CN(C)CC[N+]12CC=CC1=COC3=CC=CC=C3C2

InChI

InChI=1S/C16H21N2O/c1-17(2)9-11-18-10-5-7-15(18)13-19-16-8-4-3-6-14(16)12-18/h3-8,13H,9-12H2,1-2H3/q+1