(Z)-but-2-enedioic acid; 10-[11-(4-methylpiperazin-1-yl)undecyl]phenothiazine

Systemtic Name: (Z)-but-2-enedioic acid; 10-[11-(4-methylpiperazin-1-yl)undecyl]phenothiazine Openeye Name: maleic acid; 10-[11-(4-methylpiperazin-1-yl)undecyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 10-[11-(4-methyl-1-piperazinyl)undecyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 10-[11-(4-methylpiperazin-1-yl)undecyl]phenothiazine Traditional Name: maleic acid; 10-[11-(4-methylpiperazino)undecyl]phenothiazine Formula: C36H49N3O8S MolecularWeight: 683.85456

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCCCCCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCCCCCCN2C3=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/C28H41N3S.2C4H4O4/c1-29-21-23-30(24-22-29)19-13-7-5-3-2-4-6-8-14-20-31-25-15-9-11-17-27(25)32-28-18-12-10-16-26(28)31;2*5-3(6)1-2-4(7)8/h9-12,15-18H,2-8,13-14,19-24H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-