[2-[3-butyl-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]-2-cyano-ethenylidene]azanide

Systemtic Name: [2-[3-butyl-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]-2-cyano-ethenylidene]azanide Openeye Name: [2-[4-(benzenesulfonylmethyl)-3-butyl-pyridin-1-ium-1-yl]-2-cyano-ethenylidene]azanide CAS Name: [2-[4-(benzenesulfonylmethyl)-3-butyl-1-pyridin-1-iumyl]-2-cyanoethenylidene]azanide IUPAC Name: [2-[4-(benzenesulfonylmethyl)-3-butylpyridin-1-ium-1-yl]-2-cyanoethenylidene]azanide Traditional Name: [2-[4-(besylmethyl)-3-butyl-pyridin-1-ium-1-yl]-2-cyano-ethenylidene]azanide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C[N+](=C1)C(=C=[N-])C#N)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C=C[N+](=C1)C(=C=[N-])C#N)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O2S/c1-2-3-7-16-14-22(18(12-20)13-21)11-10-17(16)15-25(23,24)19-8-5-4-6-9-19/h4-6,8-11,14H,2-3,7,15H2,1H3