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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-3-ium-2,3-diamine Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-3-ium-2,3-diamine CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-3-ium-2,3-diamine IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-3-ium-2,3-diamine Traditional Name: [2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiazol-3-ium-3-yl]amine Formula: C12H14N3O2S+ MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C[N+](=C(S3)N)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C[N+](=C(S3)N)N)OC1

InChI

InChI=1S/C12H13N3O2S/c13-12-15(14)7-11(18-12)8-2-3-9-10(6-8)17-5-1-4-16-9/h2-3,6-7,13H,1,4-5,14H2/p+1