4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoylamino]butyrate Formula: C14H25N3O4 MolecularWeight: 299.366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H25N3O4/c1-11-5-2-3-9-17(11)10-4-8-15-14(21)16-12(18)6-7-13(19)20/h11H,2-10H2,1H3,(H,19,20)(H2,15,16,18,21)/t11-/m0/s1