(E)-but-2-enedioic acid; 1-ethyl-5-piperidin-1-yl-4,5,6,7-tetrahydrobenzimidazole

Systemtic Name: (E)-but-2-enedioic acid; 1-ethyl-5-piperidin-1-yl-4,5,6,7-tetrahydrobenzimidazole Openeye Name: 1-ethyl-5-(1-piperidyl)-4,5,6,7-tetrahydrobenzimidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-ethyl-5-(1-piperidinyl)-4,5,6,7-tetrahydrobenzimidazole IUPAC Name: (E)-but-2-enedioic acid; 1-ethyl-5-piperidin-1-yl-4,5,6,7-tetrahydrobenzimidazole Traditional Name: 1-ethyl-5-piperidino-4,5,6,7-tetrahydrobenzimidazole; fumaric acid Formula: C26H35N3O12 MolecularWeight: 581.569

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1CCC(C2)N3CCCCC3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1C2=C(N=C1)CC(CC2)N3CCCCC3.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H23N3.3C4H4O4/c1-2-16-11-15-13-10-12(6-7-14(13)16)17-8-4-3-5-9-17;3*5-3(6)1-2-4(7)8/h11-12H,2-10H2,1H3;3*1-2H,(H,5,6)(H,7,8)/b;3*2-1+