(5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (5R)-5-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C3=CC=CC=C3OCC[NH2+]2

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H]2C3=CC=CC=C3OCC[NH2+]2

InChI

InChI=1S/C16H17NO2/c1-18-13-6-4-5-12(11-13)16-14-7-2-3-8-15(14)19-10-9-17-16/h2-8,11,16-17H,9-10H2,1H3/p+1/t16-/m1/s1