3-azido-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine; (E)-but-2-enedioic acid

Systemtic Name: 3-azido-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine; (E)-but-2-enedioic acid Openeye Name: 3-azido-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine; fumaric acid CAS Name: 3-azido-10-[4-(4-methyl-1-piperazinyl)butyl]phenothiazine; (E)-2-butenedioic acid IUPAC Name: 3-azido-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine; (E)-but-2-enedioic acid Traditional Name: 3-azido-10-[4-(4-methylpiperazino)butyl]phenothiazine; fumaric acid Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H26N6S.C4H4O4/c1-25-12-14-26(15-13-25)10-4-5-11-27-18-6-2-3-7-20(18)28-21-16-17(23-24-22)8-9-19(21)27;5-3(6)1-2-4(7)8/h2-3,6-9,16H,4-5,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+