6-[3-[ethyl(phenyl)amino]propylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[3-[ethyl(phenyl)amino]propylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[3-(N-ethylanilino)propylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[3-(N-ethylanilino)propylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[3-(N-ethylanilino)propylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[3-(N-ethylanilino)propylamino]pyridin-1-ium-3-sulfonamide Formula: C16H23N4O2S+ MolecularWeight: 335.44442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCN(CCCNC1=[NH+]C=C(C=C1)S(=O)(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-2-20(14-7-4-3-5-8-14)12-6-11-18-16-10-9-15(13-19-16)23(17,21)22/h3-5,7-10,13H,2,6,11-12H2,1H3,(H,18,19)(H2,17,21,22)/p+1