ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride

Systemtic Name: ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride Openeye Name: ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride CAS Name: 2-[10-[3-(4-methyl-1-piperazin-4-iumyl)propyl]-2-phenothiazinyl]-4-quinolinecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]quinoline-4-carboxylate chloride Traditional Name: 2-[10-[3-(4-methylpiperazin-4-ium-1-yl)propyl]phenothiazin-2-yl]cinchoninic acid ethyl ester chloride Formula: C32H35ClN4O2S MolecularWeight: 575.1639

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCCN6CC[NH+](CC6)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCCN6CC[NH+](CC6)C.[Cl-]

InChI

InChI=1S/C32H34N4O2S.ClH/c1-3-38-32(37)25-22-27(33-26-10-5-4-9-24(25)26)23-13-14-31-29(21-23)36(28-11-6-7-12-30(28)39-31)16-8-15-35-19-17-34(2)18-20-35;/h4-7,9-14,21-22H,3,8,15-20H2,1-2H3;1H