N-phenyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-amine hydrochloride

Systemtic Name: N-phenyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-amine hydrochloride Openeye Name: N-phenyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-amine hydrochloride CAS Name: N-phenyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-amine hydrochloride IUPAC Name: N-phenyl-9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-amine hydrochloride Traditional Name: 9,11-dihydropyrrolo[2,1-c][1,4]benzoxazepin-10-ium-10-yl(phenyl)amine hydrochloride Formula: C18H18ClN2O+ MolecularWeight: 313.80132

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=COC3=CC=CC=C3C[N+]21NC4=CC=CC=C4.Cl

Isomeric SMILES

C1C=CC2=COC3=CC=CC=C3C[N+]21NC4=CC=CC=C4.Cl

InChI

InChI=1S/C18H17N2O.ClH/c1-2-8-16(9-3-1)19-20-12-6-10-17(20)14-21-18-11-5-4-7-15(18)13-20;/h1-11,14,19H,12-13H2;1H/q+1;