5-cyclohexyl-1-propan-2-yl-1-benzothiophen-1-ium-3-one

Systemtic Name: 5-cyclohexyl-1-propan-2-yl-1-benzothiophen-1-ium-3-one Openeye Name: 5-cyclohexyl-1-isopropyl-benzothiophen-1-ium-3-one CAS Name: 5-cyclohexyl-1-propan-2-yl-1-benzothiophen-1-ium-3-one IUPAC Name: 5-cyclohexyl-1-propan-2-yl-1-benzothiophen-1-ium-3-one Traditional Name: 5-cyclohexyl-1-isopropyl-benzothiophen-1-ium-3-one Formula: C17H23OS+ MolecularWeight: 275.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[S+]1CC(=O)C2=C1C=CC(=C2)C3CCCCC3

Isomeric SMILES

CC(C)[S+]1CC(=O)C2=C1C=CC(=C2)C3CCCCC3

InChI

InChI=1S/C17H23OS/c1-12(2)19-11-16(18)15-10-14(8-9-17(15)19)13-6-4-3-5-7-13/h8-10,12-13H,3-7,11H2,1-2H3/q+1