7-(2-azanyl-1,3-thiazol-3-ium-4-yl)-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-dione

Systemtic Name: 7-(2-azanyl-1,3-thiazol-3-ium-4-yl)-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-dione Openeye Name: 7-(2-aminothiazol-3-ium-4-yl)-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-dione CAS Name: 7-(2-amino-4-thiazol-3-iumyl)-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-dione IUPAC Name: 7-(2-amino-1,3-thiazol-3-ium-4-yl)-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-dione Traditional Name: 7-(2-aminothiazol-3-ium-4-yl)-2,7-dimethyl-3,8-dioxaspiro[4.4]nonane-4,9-quinone Formula: C12H15N2O4S+ MolecularWeight: 283.3235

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2(CC(OC2=O)(C)C3=CSC(=[NH+]3)N)C(=O)O1

Isomeric SMILES

CC1CC2(CC(OC2=O)(C)C3=CSC(=[NH+]3)N)C(=O)O1

InChI

InChI=1S/C12H14N2O4S/c1-6-3-12(8(15)17-6)5-11(2,18-9(12)16)7-4-19-10(13)14-7/h4,6H,3,5H2,1-2H3,(H2,13,14)/p+1