4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline bromide

Systemtic Name: 4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline bromide Openeye Name: 4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline bromide CAS Name: 4-[2-(1-propyl-4-pyridin-1-iumyl)ethylsulfonyl]aniline bromide IUPAC Name: 4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]aniline bromide Traditional Name: [4-[2-(1-propylpyridin-1-ium-4-yl)ethylsulfonyl]phenyl]amine bromide Formula: C16H21BrN2O2S MolecularWeight: 385.31914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)N.[Br-]

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)N.[Br-]

InChI

InChI=1S/C16H21N2O2S.BrH/c1-2-10-18-11-7-14(8-12-18)9-13-21(19,20)16-5-3-15(17)4-6-16;/h3-8,11-12H,2,9-10,13,17H2,1H3;1H/q+1;/p-1