6-azanyl-2-methoxy-5-(phenylsulfonyl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-methoxy-5-(phenylsulfonyl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-5-(benzenesulfonyl)-2-methoxy-pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-5-(benzenesulfonyl)-2-methoxy-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-5-(benzenesulfonyl)-2-methoxypyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-5-besyl-2-methoxy-pyridin-1-ium-3-carbonitrile Formula: C13H12N3O3S+ MolecularWeight: 290.31768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]C(=C(C=C1C#N)S(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

COC1=[NH+]C(=C(C=C1C#N)S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C13H11N3O3S/c1-19-13-9(8-14)7-11(12(15)16-13)20(17,18)10-5-3-2-4-6-10/h2-7H,1H3,(H2,15,16)/p+1