[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]azanium Openeye Name: [(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]ammonium Formula: C16H27N3OS+2 MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C16H25N3OS/c1-21-12-7-15(17)16(20)19-10-8-18(9-11-19)13-14-5-3-2-4-6-14/h2-6,15H,7-13,17H2,1H3/p+2/t15-/m0/s1