2-[3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[3-[2-[(4-tert-butylphenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[3-[2-(4-tert-butylphenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[3-[2-[(4-tert-butylphenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Formula: C25H27N2O3S+ MolecularWeight: 435.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCCC2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCCC2=C[N+](=CC=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N2O3S/c1-25(2,3)21-8-12-23(13-9-21)31-16-14-19-5-4-15-26(17-19)18-24(28)20-6-10-22(11-7-20)27(29)30/h4-13,15,17H,14,16,18H2,1-3H3/q+1