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

Systemtic Name: (E)-but-2-enedioic acid; N,N,N',N'-tetramethyl-1-phenothiazin-10-yl-propane-1,3-diamine Openeye Name: fumaric acid; N,N,N',N'-tetramethyl-1-phenothiazin-10-yl-propane-1,3-diamine CAS Name: (E)-2-butenedioic acid; N,N,N',N'-tetramethyl-1-(10-phenothiazinyl)propane-1,3-diamine IUPAC Name: (E)-but-2-enedioic acid; N,N,N',N'-tetramethyl-1-phenothiazin-10-ylpropane-1,3-diamine Traditional Name: [3-(dimethylamino)-1-phenothiazin-10-yl-propyl]-dimethyl-amine; fumaric acid Formula: C42H54N6O4S2 MolecularWeight: 771.04596

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN(C)CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN(C)CCC(N1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C19H25N3S.C4H4O4/c2*1-20(2)14-13-19(21(3)4)22-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)22;5-3(6)1-2-4(7)8/h2*5-12,19H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+