(E)-but-2-enedioic acid; 10-(2-dimethylaminoethyl)-N,N-dimethyl-phenothiazin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 10-(2-dimethylaminoethyl)-N,N-dimethyl-phenothiazin-2-amine Openeye Name: 10-(2-dimethylaminoethyl)-N,N-dimethyl-phenothiazin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 10-(2-dimethylaminoethyl)-N,N-dimethyl-2-phenothiazinamine IUPAC Name: (E)-but-2-enedioic acid; 10-(2-dimethylaminoethyl)-N,N-dimethylphenothiazin-2-amine Traditional Name: [10-(2-dimethylaminoethyl)phenothiazin-2-yl]-dimethyl-amine; fumaric acid Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23N3S.C4H4O4/c1-19(2)11-12-21-15-7-5-6-8-17(15)22-18-10-9-14(20(3)4)13-16(18)21;5-3(6)1-2-4(7)8/h5-10,13H,11-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+