4-methyl-5'-nitro-spiro[1,4-diazinan-1-ium-1,1'-indol-1-ium]-2'-thiol

Systemtic Name: 4-methyl-5'-nitro-spiro[1,4-diazinan-1-ium-1,1'-indol-1-ium]-2'-thiol Openeye Name: 4-methyl-5'-nitro-spiro[1,4-diazinan-1-ium-1,1'-indol-1-ium]-2'-thiol CAS Name: 4-methyl-5'-nitro-2'-spiro[1,4-diazinan-1-ium-1,1'-indol-1-ium]thiol IUPAC Name: 4-methyl-5'-nitrospiro[1,4-diazinan-1-ium-1,1'-indol-1-ium]-2'-thiol Traditional Name: 4-methyl-5'-nitro-spiro[1,4-diazinan-1-ium-1,1'-indol-1-ium]-2'-thiol Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+]2(CC1)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

Isomeric SMILES

CN1CC[N+]2(CC1)C3=C(C=C(C=C3)[N+](=O)[O-])C=C2S

InChI

InChI=1S/C13H15N3O2S/c1-14-4-6-16(7-5-14)12-3-2-11(15(17)18)8-10(12)9-13(16)19/h2-3,8-9H,4-7H2,1H3/p+1