(E)-but-2-enedioic acid; 3-(2-chloranylphenothiazin-10-yl)propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-chloranylphenothiazin-10-yl)propan-1-amine Openeye Name: 3-(2-chlorophenothiazin-10-yl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-chloro-10-phenothiazinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-chlorophenothiazin-10-yl)propan-1-amine Traditional Name: 3-(2-chlorophenothiazin-10-yl)propylamine; fumaric acid Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H15ClN2S.C4H4O4/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15;5-3(6)1-2-4(7)8/h1-2,4-7,10H,3,8-9,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+