3-methyl-7-nitro-5-oxidanyl-1-prop-2-enyl-3H-[1,2]thiazolo[4,3-c]pyridin-5-ium 2,2-dioxide

Systemtic Name: 3-methyl-7-nitro-5-oxidanyl-1-prop-2-enyl-3H-[1,2]thiazolo[4,3-c]pyridin-5-ium 2,2-dioxide Openeye Name: 1-allyl-5-hydroxy-3-methyl-7-nitro-3H-isothiazolo[4,3-c]pyridin-5-ium 2,2-dioxide CAS Name: 5-hydroxy-3-methyl-7-nitro-1-prop-2-enyl-3H-isothiazolo[4,3-c]pyridin-5-ium 2,2-dioxide IUPAC Name: 5-hydroxy-3-methyl-7-nitro-1-prop-2-enyl-3H-[1,2]thiazolo[4,3-c]pyridin-5-ium 2,2-dioxide Traditional Name: 1-allyl-5-hydroxy-3-methyl-7-nitro-3H-isothiazolo[4,3-c]pyridin-5-ium 2,2-dioxide Formula: C10H12N3O5S+ MolecularWeight: 286.28438

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C[N+](=CC(=C2N(S1(=O)=O)CC=C)[N+](=O)[O-])O

Isomeric SMILES

CC1C2=C[N+](=CC(=C2N(S1(=O)=O)CC=C)[N+](=O)[O-])O

InChI

InChI=1S/C10H12N3O5S/c1-3-4-12-10-8(7(2)19(12,17)18)5-11(14)6-9(10)13(15)16/h3,5-7,14H,1,4H2,2H3/q+1