(E)-but-2-enedioic acid; N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine

Systemtic Name: (E)-but-2-enedioic acid; N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine Openeye Name: fumaric acid; N1,N1,N2,N2-tetramethyl-3-phenothiazin-10-yl-propane-1,2-diamine CAS Name: (E)-2-butenedioic acid; N1,N1,N2,N2-tetramethyl-3-(10-phenothiazinyl)propane-1,2-diamine IUPAC Name: (E)-but-2-enedioic acid; 1-N,1-N,2-N,2-N-tetramethyl-3-phenothiazin-10-ylpropane-1,2-diamine Traditional Name: [1-(dimethylaminomethyl)-2-phenothiazin-10-yl-ethyl]-dimethyl-amine; fumaric acid Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H25N3S.C4H4O4/c1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22;5-3(6)1-2-4(7)8/h5-12,15H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+