(3aR,7aR)-5,6-dimethyl-1-oxidanidyl-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one

Systemtic Name: (3aR,7aR)-5,6-dimethyl-1-oxidanidyl-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one Openeye Name: (3aR,7aR)-5,6-dimethyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one CAS Name: (3aR,7aR)-5,6-dimethyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one IUPAC Name: (3aR,7aR)-5,6-dimethyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one Traditional Name: (3aR,7aR)-5,6-dimethyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2C(C1)C(=O)N[S+]2[O-])C

Isomeric SMILES

CC1=C(C[C@@H]2[C@H](C1)C(=O)N[S+]2[O-])C

InChI

InChI=1S/C9H13NO2S/c1-5-3-7-8(4-6(5)2)13(12)10-9(7)11/h7-8H,3-4H2,1-2H3,(H,10,11)/t7-,8+,13?/m0/s1