3-butyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium

Systemtic Name: 3-butyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium Openeye Name: 3-butyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium CAS Name: 3-butyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-butyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium Traditional Name: 3-butyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium Formula: C12H18NS+ MolecularWeight: 208.34302

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2=CC=CC=C2SC1

Isomeric SMILES

CCCC[NH+]1CC2=CC=CC=C2SC1

InChI

InChI=1S/C12H17NS/c1-2-3-8-13-9-11-6-4-5-7-12(11)14-10-13/h4-7H,2-3,8-10H2,1H3/p+1