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

Systemtic Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NOC(=N2)C[NH+]3CCOC4=CC=CC=C4C3

Isomeric SMILES

C1CC1C2=NOC(=N2)C[NH+]3CCOC4=CC=CC=C4C3

InChI

InChI=1S/C15H17N3O2/c1-2-4-13-12(3-1)9-18(7-8-19-13)10-14-16-15(17-20-14)11-5-6-11/h1-4,11H,5-10H2/p+1