1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-tert-butoxycarbonylpiperazin-1-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-tert-butoxycarbonylpiperazino)ethyl]piperidin-1-ium-4-carboxylate Formula: C17H31N3O4 MolecularWeight: 341.44574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C17H31N3O4/c1-17(2,3)24-16(23)20-12-10-19(11-13-20)9-8-18-6-4-14(5-7-18)15(21)22/h14H,4-13H2,1-3H3,(H,21,22)