3-[4-(2-methylphenyl)phenyl]sulfonylpropylazanium

Systemtic Name: 3-[4-(2-methylphenyl)phenyl]sulfonylpropylazanium Openeye Name: 3-[4-(o-tolyl)phenyl]sulfonylpropylammonium CAS Name: 3-[4-(2-methylphenyl)phenyl]sulfonylpropylammonium IUPAC Name: 3-[4-(2-methylphenyl)phenyl]sulfonylpropylazanium Traditional Name: 3-[4-(o-tolyl)phenyl]sulfonylpropylammonium Formula: C16H20NO2S+ MolecularWeight: 290.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC[NH3+]

InChI

InChI=1S/C16H19NO2S/c1-13-5-2-3-6-16(13)14-7-9-15(10-8-14)20(18,19)12-4-11-17/h2-3,5-10H,4,11-12,17H2,1H3/p+1