1-[2-[(4-hydroxyphenyl)sulfanylmethyl]pyridin-1-ium-1-yl]-3-methyl-butan-2-one

Systemtic Name: 1-[2-[(4-hydroxyphenyl)sulfanylmethyl]pyridin-1-ium-1-yl]-3-methyl-butan-2-one Openeye Name: 1-[2-[(4-hydroxyphenyl)sulfanylmethyl]pyridin-1-ium-1-yl]-3-methyl-butan-2-one CAS Name: 1-[2-[[(4-hydroxyphenyl)thio]methyl]-1-pyridin-1-iumyl]-3-methyl-2-butanone IUPAC Name: 1-[2-[(4-hydroxyphenyl)sulfanylmethyl]pyridin-1-ium-1-yl]-3-methylbutan-2-one Traditional Name: 1-[2-[[(4-hydroxyphenyl)thio]methyl]pyridin-1-ium-1-yl]-3-methyl-butan-2-one Formula: C17H20NO2S+ MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C[N+]1=CC=CC=C1CSC2=CC=C(C=C2)O

Isomeric SMILES

CC(C)C(=O)C[N+]1=CC=CC=C1CSC2=CC=C(C=C2)O

InChI

InChI=1S/C17H19NO2S/c1-13(2)17(20)11-18-10-4-3-5-14(18)12-21-16-8-6-15(19)7-9-16/h3-10,13H,11-12H2,1-2H3/p+1