(5S)-5-cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (5S)-5-cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (5S)-5-cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (5S)-5-cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (5S)-5-cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (5S)-5-cyclopropyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C12H16NO+ MolecularWeight: 190.26154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C3=CC=CC=C3OCC[NH2+]2

Isomeric SMILES

C1CC1[C@H]2C3=CC=CC=C3OCC[NH2+]2

InChI

InChI=1S/C12H15NO/c1-2-4-11-10(3-1)12(9-5-6-9)13-7-8-14-11/h1-4,9,12-13H,5-8H2/p+1/t12-/m0/s1