(E)-but-2-enedioic acid; 2-(2-chloranylphenothiazin-10-yl)-N-methyl-N-(phenylmethyl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-(2-chloranylphenothiazin-10-yl)-N-methyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-2-(2-chlorophenothiazin-10-yl)-N-methyl-ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2-chloro-10-phenothiazinyl)-N-methyl-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-2-(2-chlorophenothiazin-10-yl)-N-methylethanamine; (E)-but-2-enedioic acid Traditional Name: benzyl-[2-(2-chlorophenothiazin-10-yl)ethyl]-methyl-amine; fumaric acid Formula: C26H25ClN2O4S MolecularWeight: 497.0057

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H21ClN2S.C4H4O4/c1-24(16-17-7-3-2-4-8-17)13-14-25-19-9-5-6-10-21(19)26-22-12-11-18(23)15-20(22)25;5-3(6)1-2-4(7)8/h2-12,15H,13-14,16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+