(Z)-but-2-enedioic acid; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

Systemtic Name: (Z)-but-2-enedioic acid; 2-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Openeye Name: 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Traditional Name: 2-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine; maleic acid Formula: C36H40ClN3O16S MolecularWeight: 838.2313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24ClN3S.4C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;4*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;4*1-2H,(H,5,6)(H,7,8)/b;4*2-1-