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

Systemtic Name: (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(phenylmethyl)azepan-1-ium-4-carboxylate Openeye Name: (4R)-1-benzyl-4-(tert-butoxycarbonylamino)azepan-1-ium-4-carboxylate CAS Name: (4R)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-4-azepan-1-iumcarboxylate IUPAC Name: (4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-ium-4-carboxylate Traditional Name: (4R)-1-benzyl-4-(tert-butoxycarbonylamino)azepan-1-ium-4-carboxylate Formula: C19H28N2O4 MolecularWeight: 348.43662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1(CCC[NH+](CC1)CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@]1(CCC[NH+](CC1)CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C19H28N2O4/c1-18(2,3)25-17(24)20-19(16(22)23)10-7-12-21(13-11-19)14-15-8-5-4-6-9-15/h4-6,8-9H,7,10-14H2,1-3H3,(H,20,24)(H,22,23)/t19-/m1/s1