(3,6-dibutoxy-2-phenyl-5-thia-2-aza-7-azoniabicyclo[4.1.0]heptan-7-ylidene)azanide

Systemtic Name: (3,6-dibutoxy-2-phenyl-5-thia-2-aza-7-azoniabicyclo[4.1.0]heptan-7-ylidene)azanide Openeye Name: (3,6-dibutoxy-2-phenyl-5-thia-2-aza-7-azoniabicyclo[4.1.0]heptan-7-ylidene)azanide CAS Name: (3,6-dibutoxy-2-phenyl-5-thia-2-aza-7-azoniabicyclo[4.1.0]heptan-7-ylidene)azanide IUPAC Name: (3,6-dibutoxy-2-phenyl-5-thia-2-aza-7-azoniabicyclo[4.1.0]heptan-7-ylidene)azanide Traditional Name: (3,6-dibutoxy-2-phenyl-5-thia-2-aza-7-azoniabicyclo[4.1.0]heptan-7-ylidene)azanide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CSC2(C(N1C3=CC=CC=C3)[N+]2=[N-])OCCCC

Isomeric SMILES

CCCCOC1CSC2(C(N1C3=CC=CC=C3)[N+]2=[N-])OCCCC

InChI

InChI=1S/C18H27N3O2S/c1-3-5-12-22-16-14-24-18(23-13-6-4-2)17(21(18)19)20(16)15-10-8-7-9-11-15/h7-11,16-17H,3-6,12-14H2,1-2H3