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

Systemtic Name: 4-ethyl-4-methyl-3-(2-methyl-3-phenyl-2H-imidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene Openeye Name: 4-ethyl-4-methyl-3-(2-methyl-3-phenyl-2H-imidazol-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-3-phenyl-2H-imidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene IUPAC Name: 4-ethyl-4-methyl-3-(2-methyl-3-phenyl-2H-imidazol-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene Traditional Name: 4-ethyl-4-methyl-3-(2-methyl-3-phenyl-4-imidazolin-1-yl)-5-nitro-6-thia-2-aza-4-azoniabicyclo[3.1.0]hex-1-ene Formula: C16H20N5O2S+ MolecularWeight: 346.4273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(N=C2C1(S2)[N+](=O)[O-])N3C=CN(C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC[N+]1(C(N=C2C1(S2)[N+](=O)[O-])N3C=CN(C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C16H20N5O2S/c1-4-21(3)15(17-14-16(21,24-14)20(22)23)19-11-10-18(12(19)2)13-8-6-5-7-9-13/h5-12,15H,4H2,1-3H3/q+1