(E)-(4-butoxy-3-ethoxy-phenyl)methylidene-(5H-[1,2,4]triazino[5,6-b]indol-3-ylimino)azanium

Systemtic Name: (E)-(4-butoxy-3-ethoxy-phenyl)methylidene-(5H-[1,2,4]triazino[5,6-b]indol-3-ylimino)azanium Openeye Name: (E)-(4-butoxy-3-ethoxy-phenyl)methylene-(5H-[1,2,4]triazino[5,6-b]indol-3-ylimino)ammonium CAS Name: (E)-(4-butoxy-3-ethoxyphenyl)methylidene-(5H-[1,2,4]triazino[5,6-b]indol-3-ylimino)ammonium IUPAC Name: (E)-(4-butoxy-3-ethoxyphenyl)methylidene-(5H-[1,2,4]triazino[5,6-b]indol-3-ylimino)azanium Traditional Name: (E)-(4-butoxy-3-ethoxy-benzylidene)-(5H-[1,2,4]triazin[5,6-b]indol-3-ylimino)ammonium Formula: C22H23N6O2+ MolecularWeight: 403.45702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=[N+]=NC2=NC3=C(C4=CC=CC=C4N3)N=N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=[N+]=NC2=NC3=C(C4=CC=CC=C4N3)N=N2)OCC

InChI

InChI=1S/C22H22N6O2/c1-3-5-12-30-18-11-10-15(13-19(18)29-4-2)14-23-27-22-25-21-20(26-28-22)16-8-6-7-9-17(16)24-21/h6-11,13-14H,3-5,12H2,1-2H3/p+1