(E)-but-2-enedioate; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol

Systemtic Name: (E)-but-2-enedioate; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol Openeye Name: (E)-but-2-enedioate; 9-(2-thienylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol CAS Name: (E)-2-butenedioate; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol IUPAC Name: (E)-but-2-enedioate; 9-(thiophen-2-ylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol Traditional Name: 9-(2-thenylamino)-1,2,3,4-tetrahydroacridin-1-ol fumarate Formula: C22H20N2O5S-2 MolecularWeight: 424.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CS4)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CS4)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H18N2OS.C4H4O4/c21-16-9-3-8-15-17(16)18(19-11-12-5-4-10-22-12)13-6-1-2-7-14(13)20-15;5-3(6)1-2-4(7)8/h1-2,4-7,10,16,21H,3,8-9,11H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+