(2S)-4-(1H-imidazol-2-ylmethyl)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-4-(1H-imidazol-2-ylmethyl)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-4-(1H-imidazol-2-ylmethyl)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-4-(1H-imidazol-2-ylmethyl)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-4-(1H-imidazol-2-ylmethyl)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-4-(1H-imidazol-2-ylmethyl)-2,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=NC=CN3

Isomeric SMILES

C[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)C)CC3=NC=CN3

InChI

InChI=1S/C15H19N3O/c1-11-3-4-14-13(7-11)9-18(8-12(2)19-14)10-15-16-5-6-17-15/h3-7,12H,8-10H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1