2-[1-methyl-3-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]ethanal

Systemtic Name: 2-[1-methyl-3-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]ethanal Openeye Name: 2-[1-methyl-3-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]acetaldehyde CAS Name: 2-[1-methyl-3-[4-(methylthio)phenyl]-2-pyridin-1-iumyl]acetaldehyde IUPAC Name: 2-[1-methyl-3-(4-methylsulfanylphenyl)pyridin-1-ium-2-yl]acetaldehyde Traditional Name: 2-[1-methyl-3-[4-(methylthio)phenyl]pyridin-1-ium-2-yl]acetaldehyde Formula: C15H16NOS+ MolecularWeight: 258.35864

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1CC=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[N+]1=CC=CC(=C1CC=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C15H16NOS/c1-16-10-3-4-14(15(16)9-11-17)12-5-7-13(18-2)8-6-12/h3-8,10-11H,9H2,1-2H3/q+1