1-phenyl-2-propan-2-yl-1,2-benzothiazol-1-ium-3-one chloride

Systemtic Name: 1-phenyl-2-propan-2-yl-1,2-benzothiazol-1-ium-3-one chloride Openeye Name: 2-isopropyl-1-phenyl-1,2-benzothiazol-1-ium-3-one chloride CAS Name: 1-phenyl-2-propan-2-yl-1,2-benzothiazol-1-ium-3-one chloride IUPAC Name: 1-phenyl-2-propan-2-yl-1,2-benzothiazol-1-ium-3-one chloride Traditional Name: 2-isopropyl-1-phenyl-1,2-benzothiazol-1-ium-3-one chloride Formula: C16H16ClNOS MolecularWeight: 305.82234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2[S+]1C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C16H16NOS.ClH/c1-12(2)17-16(18)14-10-6-7-11-15(14)19(17)13-8-4-3-5-9-13;/h3-12H,1-2H3;1H/q+1;/p-1