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

Systemtic Name: N,N-dimethyl-2-(1-nitro-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)ethanamine Openeye Name: N,N-dimethyl-2-(1-nitro-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)ethanamine CAS Name: N,N-dimethyl-2-(1-nitro-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)ethanamine IUPAC Name: N,N-dimethyl-2-(1-nitro-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)ethanamine Traditional Name: dimethyl-[2-(1-nitro-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl)ethyl]amine Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N3O3/c1-17(2)8-10-19-9-4-5-13(19)12-22-16-7-3-6-15(18(20)21)14(16)11-19/h3-7,12H,8-11H2,1-2H3/q+1