5'-nitrospiro[azinan-1-ium-1,1'-indol-1-ium]-2'-thiol

Systemtic Name: 5'-nitrospiro[azinan-1-ium-1,1'-indol-1-ium]-2'-thiol Openeye Name: 5'-nitrospiro[azinan-1-ium-1,1'-indol-1-ium]-2'-thiol CAS Name: 5'-nitro-2'-spiro[azinan-1-ium-1,1'-indol-1-ium]thiol IUPAC Name: 5'-nitrospiro[azinan-1-ium-1,1'-indol-1-ium]-2'-thiol Traditional Name: 5'-nitrospiro[azinan-1-ium-1,1'-indol-1-ium]-2'-thiol Formula: C13H15N2O2S+ MolecularWeight: 263.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

Isomeric SMILES

C1CC[N+]2(CC1)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

InChI

InChI=1S/C13H14N2O2S/c16-14(17)11-4-5-12-10(8-11)9-13(18)15(12)6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2/p+1