3-azanylidene-2-[3-methoxy-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile

Systemtic Name: 3-azanylidene-2-[3-methoxy-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[4-(benzenesulfonylmethyl)-3-methoxy-pyridin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[4-(benzenesulfonylmethyl)-3-methoxy-1-pyridin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[4-(benzenesulfonylmethyl)-3-methoxypyridin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[4-(besylmethyl)-3-methoxy-pyridin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C16H14N3O3S+ MolecularWeight: 328.36566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C[N+](=C1)C(=C=N)C#N)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N3O3S/c1-22-16-11-19(14(9-17)10-18)8-7-13(16)12-23(20,21)15-5-3-2-4-6-15/h2-8,11,17H,12H2,1H3/q+1