4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C[NH+]1CC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2C[NH+]1CC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C18H17N3O2/c1-2-6-14(7-3-1)18-19-17(23-20-18)13-21-10-11-22-16-9-5-4-8-15(16)12-21/h1-9H,10-13H2/p+1