1-phenyl-2-(thian-1-ium-1-yl)butan-1-one

Systemtic Name: 1-phenyl-2-(thian-1-ium-1-yl)butan-1-one Openeye Name: 1-phenyl-2-tetrahydrothiopyran-1-ium-1-yl-butan-1-one CAS Name: 1-phenyl-2-(1-thian-1-iumyl)-1-butanone IUPAC Name: 1-phenyl-2-(thian-1-ium-1-yl)butan-1-one Traditional Name: 1-phenyl-2-tetrahydrothiopyran-1-ium-1-yl-butan-1-one Formula: C15H21OS+ MolecularWeight: 249.39164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)[S+]2CCCCC2

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)[S+]2CCCCC2

InChI

InChI=1S/C15H21OS/c1-2-14(17-11-7-4-8-12-17)15(16)13-9-5-3-6-10-13/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3/q+1