(2S)-3-methyl-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]butanoate CAS Name: (2S)-3-methyl-2-[[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]butanoate Traditional Name: (2S)-3-methyl-2-[3-(4-methylpiperazin-4-ium-1-yl)propanoylamino]butyrate Formula: C13H25N3O3 MolecularWeight: 271.3559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCN1CC[NH+](CC1)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCN1CC[NH+](CC1)C

InChI

InChI=1S/C13H25N3O3/c1-10(2)12(13(18)19)14-11(17)4-5-16-8-6-15(3)7-9-16/h10,12H,4-9H2,1-3H3,(H,14,17)(H,18,19)/t12-/m0/s1