11-methyl-6a,10a-dihydro-5H-pyrrolo[2,1-b][1,3]benzothiazepin-11-ium-6-one

Systemtic Name: 11-methyl-6a,10a-dihydro-5H-pyrrolo[2,1-b][1,3]benzothiazepin-11-ium-6-one Openeye Name: 11-methyl-6a,10a-dihydro-5H-pyrrolo[2,1-b][1,3]benzothiazepin-11-ium-6-one CAS Name: 11-methyl-6a,10a-dihydro-5H-pyrrolo[2,1-b][1,3]benzothiazepin-11-ium-6-one IUPAC Name: 11-methyl-6a,10a-dihydro-5H-pyrrolo[2,1-b][1,3]benzothiazepin-11-ium-6-one Traditional Name: 11-methyl-6a,10a-dihydro-5H-pyrrolo[2,1-b][1,3]benzothiazepin-11-ium-6-one Formula: C13H14NOS+ MolecularWeight: 232.32136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+]1C2C=CC=CC2C(=O)CN3C1=CC=C3

Isomeric SMILES

C[S+]1C2C=CC=CC2C(=O)CN3C1=CC=C3

InChI

InChI=1S/C13H14NOS/c1-16-12-6-3-2-5-10(12)11(15)9-14-8-4-7-13(14)16/h2-8,10,12H,9H2,1H3/q+1