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

Systemtic Name: (Z)-but-2-enedioic acid; 3-methoxy-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Openeye Name: maleic acid; 3-methoxy-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 3-methoxy-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 3-methoxy-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Traditional Name: maleic acid; 3-methoxy-10-[3-(4-methylpiperazino)propyl]phenothiazine Formula: C29H35N3O9S MolecularWeight: 601.6679

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=C(C=C(C=C3)OC)SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS.2C4H4O4/c1-22-12-14-23(15-13-22)10-5-11-24-18-6-3-4-7-20(18)26-21-16-17(25-2)8-9-19(21)24;2*5-3(6)1-2-4(7)8/h3-4,6-9,16H,5,10-15H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-