3-(phenoxymethyl)-1,3-benzothiazol-3-ium chloride tetrahydrate

Systemtic Name: 3-(phenoxymethyl)-1,3-benzothiazol-3-ium chloride tetrahydrate Openeye Name: 3-(phenoxymethyl)-1,3-benzothiazol-3-ium chloride tetrahydrate CAS Name: 3-(phenoxymethyl)-1,3-benzothiazol-3-ium chloride tetrahydrate IUPAC Name: 3-(phenoxymethyl)-1,3-benzothiazol-3-ium chloride tetrahydrate Traditional Name: 3-(phenoxymethyl)-1,3-benzothiazol-3-ium chloride tetrahydrate Formula: C14H20ClNO5S MolecularWeight: 349.8303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC[N+]2=CSC3=CC=CC=C32.O.O.O.O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)OC[N+]2=CSC3=CC=CC=C32.O.O.O.O.[Cl-]

InChI

InChI=1S/C14H12NOS.ClH.4H2O/c1-2-6-12(7-3-1)16-10-15-11-17-14-9-5-4-8-13(14)15;;;;;/h1-9,11H,10H2;1H;4*1H2/q+1;;;;;/p-1