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

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine Openeye Name: 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-amine; fumaric acid Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19ClN2S.C4H4O4/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;5-3(6)1-2-4(7)8/h3-4,6-9,12H,5,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+