2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)pyrimidine

Systemtic Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)pyrimidine Openeye Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)pyrimidine CAS Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)pyrimidine IUPAC Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)pyrimidine Traditional Name: 2-(1-ethyl-1-methyl-5-nitro-4-sulfonyl-2-imidazolin-1-ium-2-yl)pyrimidine Formula: C10H12N5O4S+ MolecularWeight: 298.29838

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S(=O)=O)N=C1C2=NC=CC=N2)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S(=O)=O)N=C1C2=NC=CC=N2)[N+](=O)[O-])C

InChI

InChI=1S/C10H12N5O4S/c1-3-15(2)8(7-11-5-4-6-12-7)13-9(20(18)19)10(15)14(16)17/h4-6,10H,3H2,1-2H3/q+1