10-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenothiazine; (E)-but-2-enedioic acid

Systemtic Name: 10-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenothiazine; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 10-(quinuclidin-2-ylmethyl)phenothiazine CAS Name: 10-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenothiazine; (E)-2-butenedioic acid IUPAC Name: 10-(1-azabicyclo[2.2.2]octan-2-ylmethyl)phenothiazine; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 10-(quinuclidin-2-ylmethyl)phenothiazine Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2CN3C4=CC=CC=C4SC5=CC=CC=C53.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN2CCC1CC2CN3C4=CC=CC=C4SC5=CC=CC=C53.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H22N2S.C4H4O4/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-15-9-11-21(16)12-10-15;5-3(6)1-2-4(7)8/h1-8,15-16H,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+