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

Systemtic Name: (3aR,7aR)-5,6-dimethyl-2-octyl-1-oxidanidyl-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one Openeye Name: (3aR,7aR)-5,6-dimethyl-2-octyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one CAS Name: (3aR,7aR)-5,6-dimethyl-2-octyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one IUPAC Name: (3aR,7aR)-5,6-dimethyl-2-octyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one Traditional Name: (3aR,7aR)-5,6-dimethyl-2-octyl-1-oxido-3a,4,7,7a-tetrahydro-1,2-benzothiazol-1-ium-3-one Formula: C17H29NO2S MolecularWeight: 311.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2CC(=C(CC2[S+]1[O-])C)C

Isomeric SMILES

CCCCCCCCN1C(=O)[C@H]2CC(=C(C[C@H]2[S+]1[O-])C)C

InChI

InChI=1S/C17H29NO2S/c1-4-5-6-7-8-9-10-18-17(19)15-11-13(2)14(3)12-16(15)21(18)20/h15-16H,4-12H2,1-3H3/t15-,16+,21?/m0/s1