7-(azepan-1-yl)-3,4,5,6-tetrahydro-2H-azepine; (E)-but-2-enedioic acid

Systemtic Name: 7-(azepan-1-yl)-3,4,5,6-tetrahydro-2H-azepine; (E)-but-2-enedioic acid Openeye Name: 7-(azepan-1-yl)-3,4,5,6-tetrahydro-2H-azepine; fumaric acid CAS Name: 7-(1-azepanyl)-3,4,5,6-tetrahydro-2H-azepine; (E)-2-butenedioic acid IUPAC Name: 7-(azepan-1-yl)-3,4,5,6-tetrahydro-2H-azepine; (E)-but-2-enedioic acid Traditional Name: 7-(azepan-1-yl)-3,4,5,6-tetrahydro-2H-azepine; fumaric acid Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NCCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=NCCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H22N2.C4H4O4/c1-2-7-11-14(10-6-1)12-8-4-3-5-9-13-12;5-3(6)1-2-4(7)8/h1-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+