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

Systemtic Name: 2-methyl-4-methylsulfanyl-1-phenethyl-3-phenylmethoxy-pyridin-1-ium Openeye Name: 3-benzyloxy-2-methyl-4-methylsulfanyl-1-phenethyl-pyridin-1-ium CAS Name: 2-methyl-4-(methylthio)-1-phenethyl-3-phenylmethoxypyridin-1-ium IUPAC Name: 2-methyl-4-methylsulfanyl-1-phenethyl-3-phenylmethoxypyridin-1-ium Traditional Name: 3-benzoxy-2-methyl-4-(methylthio)-1-phenethyl-pyridin-1-ium Formula: C22H24NOS+ MolecularWeight: 350.49706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1OCC2=CC=CC=C2)SC)CCC3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C=CC(=C1OCC2=CC=CC=C2)SC)CCC3=CC=CC=C3

InChI

InChI=1S/C22H24NOS/c1-18-22(24-17-20-11-7-4-8-12-20)21(25-2)14-16-23(18)15-13-19-9-5-3-6-10-19/h3-12,14,16H,13,15,17H2,1-2H3/q+1