2-methyl-4-methylsulfanyl-1-phenethyl-pyridin-1-ium-3-ol

Systemtic Name: 2-methyl-4-methylsulfanyl-1-phenethyl-pyridin-1-ium-3-ol Openeye Name: 2-methyl-4-methylsulfanyl-1-phenethyl-pyridin-1-ium-3-ol CAS Name: 2-methyl-4-(methylthio)-1-phenethyl-3-pyridin-1-iumol IUPAC Name: 2-methyl-4-methylsulfanyl-1-phenethylpyridin-1-ium-3-ol Traditional Name: 2-methyl-4-(methylthio)-1-phenethyl-pyridin-1-ium-3-ol Formula: C15H18NOS+ MolecularWeight: 260.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)SC)CCC2=CC=CC=C2

Isomeric SMILES

CC1=[N+](C=CC(=C1O)SC)CCC2=CC=CC=C2

InChI

InChI=1S/C15H17NOS/c1-12-15(17)14(18-2)9-11-16(12)10-8-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3/p+1