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

Systemtic Name: 3-azanylidene-2-[3-butyl-4-(phenylsulfonylmethyl)pyridin-1-ium-1-yl]prop-2-enenitrile Openeye Name: 2-[4-(benzenesulfonylmethyl)-3-butyl-pyridin-1-ium-1-yl]-3-imino-prop-2-enenitrile CAS Name: 2-[4-(benzenesulfonylmethyl)-3-butyl-1-pyridin-1-iumyl]-3-imino-2-propenenitrile IUPAC Name: 2-[4-(benzenesulfonylmethyl)-3-butylpyridin-1-ium-1-yl]-3-iminoprop-2-enenitrile Traditional Name: 2-[4-(besylmethyl)-3-butyl-pyridin-1-ium-1-yl]-3-imino-acrylonitrile Formula: C19H20N3O2S+ MolecularWeight: 354.446

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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/C19H20N3O2S/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/h4-6,8-11,14,20H,2-3,7,15H2,1H3/q+1