N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-1-ium-2,5-diamine

Systemtic Name: N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-1-ium-2,5-diamine Openeye Name: N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-1-ium-2,5-diamine CAS Name: N5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)amine Formula: C14H16N3O2+ MolecularWeight: 258.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C[NH+]=C(C=C3)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C[NH+]=C(C=C3)N)OC1

InChI

InChI=1S/C14H15N3O2/c15-14-5-3-11(9-16-14)17-10-2-4-12-13(8-10)19-7-1-6-18-12/h2-5,8-9,17H,1,6-7H2,(H2,15,16)/p+1