1,2-benzothiazol-3-one; dodecyl-dimethyl-(phenylmethyl)azanium; chloride

Systemtic Name: 1,2-benzothiazol-3-one; dodecyl-dimethyl-(phenylmethyl)azanium; chloride Openeye Name: 1,2-benzothiazol-3-one; benzyl-dodecyl-dimethyl-ammonium; chloride CAS Name: 1,2-benzothiazol-3-one; dodecyl-dimethyl-(phenylmethyl)ammonium; chloride IUPAC Name: 1,2-benzothiazol-3-one; benzyl-dodecyl-dimethylazanium; chloride Traditional Name: 1,2-benzothiazol-3-one; benzyl-lauryl-dimethyl-ammonium; chloride Formula: C28H43ClN2OS MolecularWeight: 491.17182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)NS2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)NS2.[Cl-]

InChI

InChI=1S/C21H38N.C7H5NOS.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;9-7-5-3-1-2-4-6(5)10-8-7;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-4H,(H,8,9);1H/q+1;;/p-1