(2S)-7-chloranyl-2,4-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-7-chloranyl-2,4-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-7-chloro-2,4-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-7-chloro-2,4-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-7-chloro-2,4-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-7-chloro-2,4-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C11H15ClNO+ MolecularWeight: 212.6959

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)Cl)C

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)Cl)C

InChI

InChI=1S/C11H14ClNO/c1-8-6-13(2)7-9-5-10(12)3-4-11(9)14-8/h3-5,8H,6-7H2,1-2H3/p+1/t8-/m0/s1