2-[1-butyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-butyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(tert-butoxycarbonylamino)-1-butyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-butyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[1-butyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-(tert-butoxycarbonylamino)-1-butyl-piperidin-1-ium-1-yl]acetate Formula: C16H30N2O4 MolecularWeight: 314.4204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)NC(=O)OC(C)(C)C)CC(=O)[O-]

Isomeric SMILES

CCCC[N+]1(CCC(CC1)NC(=O)OC(C)(C)C)CC(=O)[O-]

InChI

InChI=1S/C16H30N2O4/c1-5-6-9-18(12-14(19)20)10-7-13(8-11-18)17-15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H-,17,19,20,21)