5-bromanyl-1-methyl-2-sulfonyl-1,3-dihydroisoindol-2-ium; methylbenzene

Systemtic Name: 5-bromanyl-1-methyl-2-sulfonyl-1,3-dihydroisoindol-2-ium; methylbenzene Openeye Name: 5-bromo-1-methyl-2-sulfonyl-isoindolin-2-ium; toluene CAS Name: 5-bromo-1-methyl-2-sulfonyl-1,3-dihydroisoindol-2-ium; toluene IUPAC Name: 5-bromo-1-methyl-2-sulfonyl-1,3-dihydroisoindol-2-ium; toluene Traditional Name: 5-bromo-1-methyl-2-sulfonyl-isoindolin-2-ium; toluene Formula: C16H17BrNO2S+ MolecularWeight: 367.28068

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C[N+]1=S(=O)=O)C=C(C=C2)Br.CC1=CC=CC=C1

Isomeric SMILES

CC1C2=C(C[N+]1=S(=O)=O)C=C(C=C2)Br.CC1=CC=CC=C1

InChI

InChI=1S/C9H9BrNO2S.C7H8/c1-6-9-3-2-8(10)4-7(9)5-11(6)14(12)13;1-7-5-3-2-4-6-7/h2-4,6H,5H2,1H3;2-6H,1H3/q+1;