(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-ium-4-carboxylate

Systemtic Name: (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-ium-4-carboxylate Openeye Name: (4S)-4-(tert-butoxycarbonylamino)azepan-1-ium-4-carboxylate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-azepan-1-iumcarboxylate IUPAC Name: (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-ium-4-carboxylate Traditional Name: (4S)-4-(tert-butoxycarbonylamino)azepan-1-ium-4-carboxylate Formula: C12H22N2O4 MolecularWeight: 258.31408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCC[NH2+]CC1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@]1(CCC[NH2+]CC1)C(=O)[O-]

InChI

InChI=1S/C12H22N2O4/c1-11(2,3)18-10(17)14-12(9(15)16)5-4-7-13-8-6-12/h13H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t12-/m0/s1