(2S)-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]propanoate

Systemtic Name: (2S)-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]propanoate Openeye Name: (2S)-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]propanoate CAS Name: (2S)-2-[[3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]propanoate Traditional Name: (2S)-2-[3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoylamino]propionate Formula: C13H25N3O3 MolecularWeight: 271.3559

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)CCN(C)C1CC[NH+](CC1)C

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)CCN(C)C1CC[NH+](CC1)C

InChI

InChI=1S/C13H25N3O3/c1-10(13(18)19)14-12(17)6-9-16(3)11-4-7-15(2)8-5-11/h10-11H,4-9H2,1-3H3,(H,14,17)(H,18,19)/t10-/m0/s1