3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-ylidenemethanediamine

Systemtic Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-ylidenemethanediamine Openeye Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-ylidenemethanediamine CAS Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-ylidenemethanediamine IUPAC Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-ylidenemethanediamine Traditional Name: [amino(3,5-dihydro-2H-1,4-benzoxazepin-4-ium-4-ylidene)methyl]amine Formula: C10H14N3O+ MolecularWeight: 192.23766

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C[N+]1=C(N)N

Isomeric SMILES

C1COC2=CC=CC=C2C[N+]1=C(N)N

InChI

InChI=1S/C10H13N3O/c11-10(12)13-5-6-14-9-4-2-1-3-8(9)7-13/h1-4H,5-7H2,(H3,11,12)/p+1