[(E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-yl]azanium

Systemtic Name: [(E,3S)-5-methyl-1-(phenylsulfonyl)hex-1-en-3-yl]azanium Openeye Name: [(1S)-1-[(E)-2-(benzenesulfonyl)vinyl]-3-methyl-butyl]ammonium CAS Name: [(E,3S)-1-(benzenesulfonyl)-5-methylhex-1-en-3-yl]ammonium IUPAC Name: [(E,3S)-1-(benzenesulfonyl)-5-methylhex-1-en-3-yl]azanium Traditional Name: [(E,1S)-3-besyl-1-isobutyl-allyl]ammonium Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CS(=O)(=O)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](/C=C/S(=O)(=O)C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C13H19NO2S/c1-11(2)10-12(14)8-9-17(15,16)13-6-4-3-5-7-13/h3-9,11-12H,10,14H2,1-2H3/p+1/b9-8+/t12-/m1/s1