1-[(4-butan-2-ylphenyl)methyl]-4-[(4-ethenylphenyl)methylsulfanyl]pyridin-1-ium

Systemtic Name: 1-[(4-butan-2-ylphenyl)methyl]-4-[(4-ethenylphenyl)methylsulfanyl]pyridin-1-ium Openeye Name: 1-[(4-sec-butylphenyl)methyl]-4-[(4-vinylphenyl)methylsulfanyl]pyridin-1-ium CAS Name: 1-[(4-butan-2-ylphenyl)methyl]-4-[(4-ethenylphenyl)methylthio]pyridin-1-ium IUPAC Name: 1-[(4-butan-2-ylphenyl)methyl]-4-[(4-ethenylphenyl)methylsulfanyl]pyridin-1-ium Traditional Name: 1-(4-sec-butylbenzyl)-4-[(4-vinylbenzyl)thio]pyridin-1-ium Formula: C25H28NS+ MolecularWeight: 374.56152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)SCC3=CC=C(C=C3)C=C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)SCC3=CC=C(C=C3)C=C

InChI

InChI=1S/C25H28NS/c1-4-20(3)24-12-10-22(11-13-24)18-26-16-14-25(15-17-26)27-19-23-8-6-21(5-2)7-9-23/h5-17,20H,2,4,18-19H2,1,3H3/q+1