10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide

Systemtic Name: 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Openeye Name: 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide CAS Name: 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide IUPAC Name: 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Traditional Name: 10-methyl-2,3,4,4a-tetrahydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium bromide Formula: C12H16BrNS MolecularWeight: 286.23114

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCCC1SC3=CC=CC=C23.[Br-]

Isomeric SMILES

C[N+]12CCCCC1SC3=CC=CC=C23.[Br-]

InChI

InChI=1S/C12H16NS.BrH/c1-13-9-5-4-8-12(13)14-11-7-3-2-6-10(11)13;/h2-3,6-7,12H,4-5,8-9H2,1H3;1H/q+1;/p-1