(E)-but-2-enedioic acid; 4-(1H-indol-4-yl)-1-methyl-piperidin-4-ol

Systemtic Name: (E)-but-2-enedioic acid; 4-(1H-indol-4-yl)-1-methyl-piperidin-4-ol Openeye Name: fumaric acid; 4-(1H-indol-4-yl)-1-methyl-piperidin-4-ol CAS Name: (E)-2-butenedioic acid; 4-(1H-indol-4-yl)-1-methyl-4-piperidinol IUPAC Name: (E)-but-2-enedioic acid; 4-(1H-indol-4-yl)-1-methylpiperidin-4-ol Traditional Name: fumaric acid; 4-(1H-indol-4-yl)-1-methyl-piperidin-4-ol Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C2=C3C=CNC3=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)(C2=C3C=CNC3=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H18N2O.C4H4O4/c1-16-9-6-14(17,7-10-16)12-3-2-4-13-11(12)5-8-15-13;5-3(6)1-2-4(7)8/h2-5,8,15,17H,6-7,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+