bis(azanyl)methylidene-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azanium

Systemtic Name: bis(azanyl)methylidene-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]azanium Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(diaminomethylene)ammonium CAS Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(diaminomethylidene)ammonium IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(diaminomethylidene)azanium Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-(diaminomethylene)ammonium Formula: C11H15ClN3O2+ MolecularWeight: 256.7087

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C[NH+]=C(N)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C[NH+]=C(N)N)Cl)OC1

InChI

InChI=1S/C11H14ClN3O2/c12-8-4-7(6-15-11(13)14)5-9-10(8)17-3-1-2-16-9/h4-5H,1-3,6H2,(H4,13,14,15)/p+1