(2S)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C12H23N3O3S MolecularWeight: 289.39432

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C12H23N3O3S/c1-14-4-6-15(7-5-14)9-11(16)13-10(12(17)18)3-8-19-2/h10H,3-9H2,1-2H3,(H,13,16)(H,17,18)/t10-/m0/s1