2-[[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]ethanoate

Systemtic Name: 2-[[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxopropyl]amino]acetate IUPAC Name: 2-[[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]propanoyl]amino]acetate Formula: C12H23N3O3 MolecularWeight: 257.32932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)[O-])N(C)C1CC[NH+](CC1)C

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)[O-])N(C)C1CC[NH+](CC1)C

InChI

InChI=1S/C12H23N3O3/c1-9(12(18)13-8-11(16)17)15(3)10-4-6-14(2)7-5-10/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t9-/m0/s1