1-butyl-5-methyl-1-benzothiophen-1-ium-3-one

Systemtic Name: 1-butyl-5-methyl-1-benzothiophen-1-ium-3-one Openeye Name: 1-butyl-5-methyl-benzothiophen-1-ium-3-one CAS Name: 1-butyl-5-methyl-1-benzothiophen-1-ium-3-one IUPAC Name: 1-butyl-5-methyl-1-benzothiophen-1-ium-3-one Traditional Name: 1-butyl-5-methyl-benzothiophen-1-ium-3-one Formula: C13H17OS+ MolecularWeight: 221.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+]1CC(=O)C2=C1C=CC(=C2)C

Isomeric SMILES

CCCC[S+]1CC(=O)C2=C1C=CC(=C2)C

InChI

InChI=1S/C13H17OS/c1-3-4-7-15-9-12(14)11-8-10(2)5-6-13(11)15/h5-6,8H,3-4,7,9H2,1-2H3/q+1