methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(3S)-piperidin-1-ium-3-yl]ethanoate

Systemtic Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(3S)-piperidin-1-ium-3-yl]ethanoate Openeye Name: methyl (2R)-2-(tert-butoxycarbonylamino)-2-[(3S)-piperidin-1-ium-3-yl]acetate CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[(3S)-3-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(3S)-piperidin-1-ium-3-yl]acetate Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-2-[(3S)-piperidin-1-ium-3-yl]acetic acid methyl ester Formula: C13H25N2O4+ MolecularWeight: 273.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1CCC[NH2+]C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]([C@H]1CCC[NH2+]C1)C(=O)OC

InChI

InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-10(11(16)18-4)9-6-5-7-14-8-9/h9-10,14H,5-8H2,1-4H3,(H,15,17)/p+1/t9-,10+/m0/s1