2-[2-methyl-5-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[2-methyl-5-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[2-methyl-5-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[2-methyl-5-[2-(phenylthio)ethyl]-1-pyridin-1-iumyl]-1-phenylethanone IUPAC Name: 2-[2-methyl-5-(2-phenylsulfanylethyl)pyridin-1-ium-1-yl]-1-phenylethanone Traditional Name: 2-[2-methyl-5-[2-(phenylthio)ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone Formula: C22H22NOS+ MolecularWeight: 348.48118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CCSC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=[N+](C=C(C=C1)CCSC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22NOS/c1-18-12-13-19(14-15-25-21-10-6-3-7-11-21)16-23(18)17-22(24)20-8-4-2-5-9-20/h2-13,16H,14-15,17H2,1H3/q+1