(E)-but-2-enedioic acid; 1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine Openeye Name: fumaric acid; 1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine CAS Name: (E)-2-butenedioic acid; 1-(7,8,9,10-tetrahydrophenanthridin-6-yl)-4-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; 1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine Traditional Name: fumaric acid; [1-(7,8,9,10-tetrahydrophenanthridin-6-yl)-4-piperidyl]amine Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23N3.C4H4O4/c19-13-9-11-21(12-10-13)18-16-7-2-1-5-14(16)15-6-3-4-8-17(15)20-18;5-3(6)1-2-4(7)8/h3-4,6,8,13H,1-2,5,7,9-12,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+