(E)-but-2-enedioic acid; 2-chloranyl-10-[1-(phenylmethyl)piperidin-3-yl]phenothiazine

Systemtic Name: (E)-but-2-enedioic acid; 2-chloranyl-10-[1-(phenylmethyl)piperidin-3-yl]phenothiazine Openeye Name: 10-(1-benzyl-3-piperidyl)-2-chloro-phenothiazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-chloro-10-[1-(phenylmethyl)-3-piperidinyl]phenothiazine IUPAC Name: 10-(1-benzylpiperidin-3-yl)-2-chlorophenothiazine; (E)-but-2-enedioic acid Traditional Name: 10-(1-benzyl-3-piperidyl)-2-chloro-phenothiazine; fumaric acid Formula: C28H27ClN2O4S MolecularWeight: 523.04298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H23ClN2S.C4H4O4/c25-19-12-13-24-22(15-19)27(21-10-4-5-11-23(21)28-24)20-9-6-14-26(17-20)16-18-7-2-1-3-8-18;5-3(6)1-2-4(7)8/h1-5,7-8,10-13,15,20H,6,9,14,16-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+