4,6-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: 4,6-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]benzene-1,3-dicarboxylate Openeye Name: 4,6-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]benzene-1,3-dicarboxylate CAS Name: 4,6-bis[oxo-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]benzene-1,3-dicarboxylate IUPAC Name: 4,6-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]benzene-1,3-dicarboxylate Traditional Name: 4,6-bis[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]isophthalate Formula: C28H42N4O6 MolecularWeight: 530.65628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2C(=O)[O-])C(=O)[O-])C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC(=C(C=C2C(=O)[O-])C(=O)[O-])C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C

InChI

InChI=1S/C28H42N4O6/c1-25(2)11-15(12-26(3,4)31-25)29-21(33)17-9-18(20(24(37)38)10-19(17)23(35)36)22(34)30-16-13-27(5,6)32-28(7,8)14-16/h9-10,15-16,31-32H,11-14H2,1-8H3,(H,29,33)(H,30,34)(H,35,36)(H,37,38)