3-butyl-6-methyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium

Systemtic Name: 3-butyl-6-methyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium Openeye Name: 3-butyl-6-methyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium CAS Name: 3-butyl-6-methyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-butyl-6-methyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium Traditional Name: 3-butyl-6-methyl-3,4-dihydro-2H-1,3-benzothiazin-3-ium Formula: C13H20NS+ MolecularWeight: 222.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CC2=C(C=CC(=C2)C)SC1

Isomeric SMILES

CCCC[NH+]1CC2=C(C=CC(=C2)C)SC1

InChI

InChI=1S/C13H19NS/c1-3-4-7-14-9-12-8-11(2)5-6-13(12)15-10-14/h5-6,8H,3-4,7,9-10H2,1-2H3/p+1