(2S)-2-ethyl-7-methoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: (2S)-2-ethyl-7-methoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: (2S)-2-ethyl-7-methoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: (2S)-2-ethyl-7-methoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: (2S)-2-ethyl-7-methoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: (2S)-2-ethyl-7-methoxy-4-[(2-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CN=C(N3)C

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CC3=CN=C(N3)C

InChI

InChI=1S/C17H23N3O2/c1-4-15-11-20(10-14-8-18-12(2)19-14)9-13-7-16(21-3)5-6-17(13)22-15/h5-8,15H,4,9-11H2,1-3H3,(H,18,19)/p+1/t15-/m0/s1