2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-yl-piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-yl-piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate Openeye Name: 2-[1-tert-butoxycarbonyl-4-(4-piperidyl)piperidin-1-ium-1-yl]benzene-1,3-dicarboxylate CAS Name: 2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(4-piperidinyl)-1-piperidin-1-iumyl]benzene-1,3-dicarboxylate IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-piperidin-4-ylpiperidin-1-ium-1-yl]benzene-1,3-dicarboxylate Traditional Name: 2-[1-tert-butoxycarbonyl-4-(4-piperidyl)piperidin-1-ium-1-yl]isophthalate Formula: C23H31N2O6- MolecularWeight: 431.50204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2CCNCC2)C3=C(C=CC=C3C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(CC1)C2CCNCC2)C3=C(C=CC=C3C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C23H32N2O6/c1-23(2,3)31-22(30)25(13-9-16(10-14-25)15-7-11-24-12-8-15)19-17(20(26)27)5-4-6-18(19)21(28)29/h4-6,15-16,24H,7-14H2,1-3H3,(H-,26,27,28,29)/p-1