[1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-4-yl]-phenyl-methanone Openeye Name: phenyl-[1-(p-tolylsulfonylmethyl)pyridin-1-ium-4-yl]methanone CAS Name: [1-[(4-methylphenyl)sulfonylmethyl]-4-pyridin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(4-methylphenyl)sulfonylmethyl]pyridin-1-ium-4-yl]-phenylmethanone Traditional Name: phenyl-[1-(tosylmethyl)pyridin-1-ium-4-yl]methanone Formula: C20H18NO3S+ MolecularWeight: 352.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18NO3S/c1-16-7-9-19(10-8-16)25(23,24)15-21-13-11-18(12-14-21)20(22)17-5-3-2-4-6-17/h2-14H,15H2,1H3/q+1