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

Systemtic Name: (Z)-but-2-enedioate; 3-chloranyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Openeye Name: (Z)-but-2-enedioate; 3-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine CAS Name: (Z)-2-butenedioate; 3-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine IUPAC Name: (Z)-but-2-enedioate; 3-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine Traditional Name: 3-chloro-10-[3-(4-methylpiperazino)propyl]phenothiazine dimaleate Formula: C28H28ClN3O8S-4 MolecularWeight: 602.05522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN2C3=C(C=C(C=C3)Cl)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)Cl.C(=C\C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

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