[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butan-2-yl]azanium Traditional Name: [(1S)-1-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-3-(methylthio)propyl]ammonium Formula: C18H29N3OS+2 MolecularWeight: 335.50736

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C18H27N3OS/c1-23-15-9-17(19)18(22)21-13-11-20(12-14-21)10-5-8-16-6-3-2-4-7-16/h2-8,17H,9-15,19H2,1H3/p+2/b8-5+/t17-/m0/s1