(Z)-but-2-enedioic acid; 10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazine

Systemtic Name: (Z)-but-2-enedioic acid; 10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazine Openeye Name: maleic acid; 10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 10-[8-(4-methyl-1-piperazinyl)octyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 10-[8-(4-methylpiperazin-1-yl)octyl]phenothiazine Traditional Name: maleic acid; 10-[8-(4-methylpiperazino)octyl]phenothiazine Formula: C33H43N3O8S MolecularWeight: 641.77482

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCCCN2C3=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/C25H35N3S.2C4H4O4/c1-26-18-20-27(21-19-26)16-10-4-2-3-5-11-17-28-22-12-6-8-14-24(22)29-25-15-9-7-13-23(25)28;2*5-3(6)1-2-4(7)8/h6-9,12-15H,2-5,10-11,16-21H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-