butylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide

Systemtic Name: butylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide Openeye Name: butylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide CAS Name: butylsulfonyl-[4-(4-pyridin-1-iumylmethyl)phenyl]azanide IUPAC Name: butylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide Traditional Name: butylsulfonyl-[4-(pyridin-1-ium-4-ylmethyl)phenyl]azanide Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[N-]C1=CC=C(C=C1)CC2=CC=[NH+]C=C2

Isomeric SMILES

CCCCS(=O)(=O)[N-]C1=CC=C(C=C1)CC2=CC=[NH+]C=C2

InChI

InChI=1S/C16H19N2O2S/c1-2-3-12-21(19,20)18-16-6-4-14(5-7-16)13-15-8-10-17-11-9-15/h4-11H,2-3,12-13H2,1H3/q-1/p+1