4-ethyl-4-methyl-3-(2-methylimidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene

Systemtic Name: 4-ethyl-4-methyl-3-(2-methylimidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene Openeye Name: 4-ethyl-4-methyl-3-(2-methylimidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene CAS Name: 4-ethyl-4-methyl-3-(2-methyl-1-imidazolyl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene IUPAC Name: 4-ethyl-4-methyl-3-(2-methylimidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene Traditional Name: 4-ethyl-4-methyl-3-(2-methylimidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene Formula: C10H14N5O2S+ MolecularWeight: 268.31546

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(N=C2C1(S2)[N+](=O)[O-])N3C=CN=C3C)C

Isomeric SMILES

CC[N+]1(C(N=C2C1(S2)[N+](=O)[O-])N3C=CN=C3C)C

InChI

InChI=1S/C10H14N5O2S/c1-4-15(3)9(13-6-5-11-7(13)2)12-8-10(15,18-8)14(16)17/h5-6,9H,4H2,1-3H3/q+1