(E)-but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine Openeye Name: fumaric acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; 3-(2-methoxy-10-phenothiazinyl)-N,N,2-trimethyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine Traditional Name: fumaric acid; [3-(2-methoxyphenothiazin-10-yl)-2-methyl-propyl]-dimethyl-amine Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC)CN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H24N2OS.C4H4O4/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+