2-methyl-3-propyl-1,3-benzothiazol-3-ium; propyl sulfate

Systemtic Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium; propyl sulfate Openeye Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium; propyl sulfate CAS Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium; propyl sulfate IUPAC Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium; propyl sulfate Traditional Name: 2-methyl-3-propyl-1,3-benzothiazol-3-ium; propyl sulfate Formula: C14H21NO4S2 MolecularWeight: 331.45084

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC2=CC=CC=C21)C.CCCOS(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1=C(SC2=CC=CC=C21)C.CCCOS(=O)(=O)[O-]

InChI

InChI=1S/C11H14NS.C3H8O4S/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;1-2-3-7-8(4,5)6/h4-7H,3,8H2,1-2H3;2-3H2,1H3,(H,4,5,6)/q+1;/p-1