[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methylsulfanyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]-3-(methylthio)propyl]ammonium Formula: C11H27N3S+2 MolecularWeight: 233.41718

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(CCSC)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@H](CCSC)[NH3+]

InChI

InChI=1S/C11H25N3S/c1-3-13-5-7-14(8-6-13)10-11(12)4-9-15-2/h11H,3-10,12H2,1-2H3/p+2/t11-/m0/s1