N-[4-[(6-azanylpyridin-1-ium-3-yl)amino]phenyl]sulfonylethanimidate

Systemtic Name: N-[4-[(6-azanylpyridin-1-ium-3-yl)amino]phenyl]sulfonylethanimidate Openeye Name: N-[4-[(6-aminopyridin-1-ium-3-yl)amino]phenyl]sulfonylethanimidate CAS Name: N-[4-[(6-amino-3-pyridin-1-iumyl)amino]phenyl]sulfonylethanimidate IUPAC Name: N-[4-[(6-aminopyridin-1-ium-3-yl)amino]phenyl]sulfonylethanimidate Traditional Name: N-[4-[(6-aminopyridin-1-ium-3-yl)amino]phenyl]sulfonylacetimidate Formula: C13H14N4O3S MolecularWeight: 306.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NS(=O)(=O)C1=CC=C(C=C1)NC2=C[NH+]=C(C=C2)N)[O-]

Isomeric SMILES

CC(=NS(=O)(=O)C1=CC=C(C=C1)NC2=C[NH+]=C(C=C2)N)[O-]

InChI

InChI=1S/C13H14N4O3S/c1-9(18)17-21(19,20)12-5-2-10(3-6-12)16-11-4-7-13(14)15-8-11/h2-8,16H,1H3,(H2,14,15)(H,17,18)