2-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[5-[2-[(4-tert-butylphenyl)thio]ethyl]-2-methyl-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methylpyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[5-[2-[(4-tert-butylphenyl)thio]ethyl]-2-methyl-pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C26H29N2O3S+ MolecularWeight: 449.58506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N2O3S/c1-19-5-6-20(15-16-32-24-13-9-22(10-14-24)26(2,3)4)17-27(19)18-25(29)21-7-11-23(12-8-21)28(30)31/h5-14,17H,15-16,18H2,1-4H3/q+1