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

Systemtic Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfanyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(2S)-1-(4-methyl-1-piperazin-4-iumyl)-4-(methylthio)butan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)-4-methylsulfanylbutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(methylthio)propyl]ammonium Formula: C10H25N3S+2 MolecularWeight: 219.3906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H23N3S/c1-12-4-6-13(7-5-12)9-10(11)3-8-14-2/h10H,3-9,11H2,1-2H3/p+2/t10-/m0/s1