3a,9-dimethyl-2,3-dihydro-1H-pyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride

Systemtic Name: 3a,9-dimethyl-2,3-dihydro-1H-pyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride Openeye Name: 3a,9-dimethyl-2,3-dihydro-1H-pyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride CAS Name: 3a,9-dimethyl-2,3-dihydro-1H-pyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride IUPAC Name: 3a,9-dimethyl-2,3-dihydro-1H-pyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride Traditional Name: 3a,9-dimethyl-2,3-dihydro-1H-pyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride Formula: C12H16ClNS MolecularWeight: 241.78014

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC[N+]1(C3=CC=CC=C3S2)C.[Cl-]

Isomeric SMILES

CC12CCC[N+]1(C3=CC=CC=C3S2)C.[Cl-]

InChI

InChI=1S/C12H16NS.ClH/c1-12-8-5-9-13(12,2)10-6-3-4-7-11(10)14-12;/h3-4,6-7H,5,8-9H2,1-2H3;1H/q+1;/p-1