6-azanyl-2-methoxy-5-(4-methylphenyl)sulfonyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-methoxy-5-(4-methylphenyl)sulfonyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-2-methoxy-5-(p-tolylsulfonyl)pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-2-methoxy-5-(4-methylphenyl)sulfonyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-2-methoxy-5-(4-methylphenyl)sulfonylpyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-2-methoxy-5-tosyl-pyridin-1-ium-3-carbonitrile Formula: C14H14N3O3S+ MolecularWeight: 304.34426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(C(=C2)C#N)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C([NH+]=C(C(=C2)C#N)OC)N

InChI

InChI=1S/C14H13N3O3S/c1-9-3-5-11(6-4-9)21(18,19)12-7-10(8-15)14(20-2)17-13(12)16/h3-7H,1-2H3,(H2,16,17)/p+1