(E)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine Openeye Name: N,N-dimethyl-1-phenothiazin-10-yl-propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-(10-phenothiazinyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine Traditional Name: dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)amine; fumaric acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2S.C4H4O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;5-3(6)1-2-4(7)8/h4-11,13H,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+