3-[4-(3,4-dimethylphenyl)phenyl]sulfonylpropylazanium

Systemtic Name: 3-[4-(3,4-dimethylphenyl)phenyl]sulfonylpropylazanium Openeye Name: 3-[4-(3,4-dimethylphenyl)phenyl]sulfonylpropylammonium CAS Name: 3-[4-(3,4-dimethylphenyl)phenyl]sulfonylpropylammonium IUPAC Name: 3-[4-(3,4-dimethylphenyl)phenyl]sulfonylpropylazanium Traditional Name: 3-[4-(3,4-dimethylphenyl)phenyl]sulfonylpropylammonium Formula: C17H22NO2S+ MolecularWeight: 304.42708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CCC[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CCC[NH3+])C

InChI

InChI=1S/C17H21NO2S/c1-13-4-5-16(12-14(13)2)15-6-8-17(9-7-15)21(19,20)11-3-10-18/h4-9,12H,3,10-11,18H2,1-2H3/p+1