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

Systemtic Name: (5R)-5-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (5R)-5-isopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (5R)-5-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (5R)-5-propan-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (5R)-5-isopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C12H18NO+ MolecularWeight: 192.27742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=CC=CC=C2OCC[NH2+]1

Isomeric SMILES

CC(C)[C@@H]1C2=CC=CC=C2OCC[NH2+]1

InChI

InChI=1S/C12H17NO/c1-9(2)12-10-5-3-4-6-11(10)14-8-7-13-12/h3-6,9,12-13H,7-8H2,1-2H3/p+1/t12-/m1/s1