(2S)-2-[[5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[5-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-2-furanyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]furan-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[5-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-2-furoyl]amino]propionate Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(OC(=C2)C(=O)NC(C)C(=O)[O-])C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(OC(=C2)C(=O)N[C@@H](C)C(=O)[O-])C

InChI

InChI=1S/C16H24N2O4/c1-10-6-4-5-7-18(10)9-13-8-14(22-12(13)3)15(19)17-11(2)16(20)21/h8,10-11H,4-7,9H2,1-3H3,(H,17,19)(H,20,21)/t10-,11-/m0/s1