(E)-but-2-enedioate; 4-(3-methoxyphenyl)-1,2,4,5-tetramethyl-piperidin-1-ium

Systemtic Name: (E)-but-2-enedioate; 4-(3-methoxyphenyl)-1,2,4,5-tetramethyl-piperidin-1-ium Openeye Name: (E)-but-2-enedioate; 4-(3-methoxyphenyl)-1,2,4,5-tetramethyl-piperidin-1-ium CAS Name: (E)-2-butenedioate; 4-(3-methoxyphenyl)-1,2,4,5-tetramethylpiperidin-1-ium IUPAC Name: (E)-but-2-enedioate; 4-(3-methoxyphenyl)-1,2,4,5-tetramethylpiperidin-1-ium Traditional Name: 4-(3-methoxyphenyl)-1,2,4,5-tetramethyl-piperidin-1-ium fumarate Formula: C36H54N2O6 MolecularWeight: 610.82376

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(C)C2=CC(=CC=C2)OC.CC1CC(C(C[NH+]1C)C)(C)C2=CC(=CC=C2)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1CC(C(C[NH+]1C)C)(C)C2=CC(=CC=C2)OC.CC1CC(C(C[NH+]1C)C)(C)C2=CC(=CC=C2)OC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C16H25NO.C4H4O4/c2*1-12-11-17(4)13(2)10-16(12,3)14-7-6-8-15(9-14)18-5;5-3(6)1-2-4(7)8/h2*6-9,12-13H,10-11H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+