[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-tetradecylsulfonyl-azanide hydrobromide

Systemtic Name: [4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-tetradecylsulfonyl-azanide hydrobromide Openeye Name: [4-[allyl(dimethyl)ammonio]phenyl]-tetradecylsulfonyl-azanide hydrobromide CAS Name: [4-[dimethyl(prop-2-enyl)ammonio]phenyl]-tetradecylsulfonylazanide hydrobromide IUPAC Name: [4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-tetradecylsulfonylazanide hydrobromide Traditional Name: [4-[allyl(dimethyl)ammonio]phenyl]-myristylsulfonyl-azanide hydrobromide Formula: C25H45BrN2O2S MolecularWeight: 517.606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCS(=O)(=O)[N-]C1=CC=C(C=C1)[N+](C)(C)CC=C.Br

Isomeric SMILES

CCCCCCCCCCCCCCS(=O)(=O)[N-]C1=CC=C(C=C1)[N+](C)(C)CC=C.Br

InChI

InChI=1S/C25H44N2O2S.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-23-30(28,29)26-24-18-20-25(21-19-24)27(3,4)22-6-2;/h6,18-21H,2,5,7-17,22-23H2,1,3-4H3;1H