8-methyl-3-phenylmethoxy-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium iodide

Systemtic Name: 8-methyl-3-phenylmethoxy-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium iodide Openeye Name: 3-benzyloxy-8-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium iodide CAS Name: 8-methyl-3-phenylmethoxy-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium iodide IUPAC Name: 8-methyl-3-phenylmethoxy-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium iodide Traditional Name: 3-benzoxy-8-methyl-7,9,10,14b-tetrahydro-6H-isoquinolino[2,1-d][1,4]benzoxazepin-8-ium iodide Formula: C25H26INO2 MolecularWeight: 499.38391

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC3=CC=CC=C3C1C4=C(C=C(C=C4)OCC5=CC=CC=C5)OCC2.[I-]

Isomeric SMILES

C[N+]12CCC3=CC=CC=C3C1C4=C(C=C(C=C4)OCC5=CC=CC=C5)OCC2.[I-]

InChI

InChI=1S/C25H26NO2.HI/c1-26-14-13-20-9-5-6-10-22(20)25(26)23-12-11-21(17-24(23)27-16-15-26)28-18-19-7-3-2-4-8-19;/h2-12,17,25H,13-16,18H2,1H3;1H/q+1;/p-1