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

Systemtic Name: (Z)-but-2-enedioic acid; 10-[10-(4-methylpiperazin-1-yl)decyl]phenothiazine Openeye Name: maleic acid; 10-[10-(4-methylpiperazin-1-yl)decyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 10-[10-(4-methyl-1-piperazinyl)decyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 10-[10-(4-methylpiperazin-1-yl)decyl]phenothiazine Traditional Name: maleic acid; 10-[10-(4-methylpiperazino)decyl]phenothiazine Formula: C35H47N3O8S MolecularWeight: 669.82798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCCCCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCCCCCN2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C27H39N3S.2C4H4O4/c1-28-20-22-29(23-21-28)18-12-6-4-2-3-5-7-13-19-30-24-14-8-10-16-26(24)31-27-17-11-9-15-25(27)30;2*5-3(6)1-2-4(7)8/h8-11,14-17H,2-7,12-13,18-23H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-