10-[diethyl(2-phenothiazin-10-ylethyl)azaniumyl]decyl-diethyl-(2-phenothiazin-10-ylethyl)azanium dibromide

Systemtic Name: 10-[diethyl(2-phenothiazin-10-ylethyl)azaniumyl]decyl-diethyl-(2-phenothiazin-10-ylethyl)azanium dibromide Openeye Name: 10-[diethyl(2-phenothiazin-10-ylethyl)ammonio]decyl-diethyl-(2-phenothiazin-10-ylethyl)ammonium dibromide CAS Name: 10-[diethyl-[2-(10-phenothiazinyl)ethyl]ammonio]decyl-diethyl-[2-(10-phenothiazinyl)ethyl]ammonium dibromide IUPAC Name: 10-[diethyl(2-phenothiazin-10-ylethyl)azaniumyl]decyl-diethyl-(2-phenothiazin-10-ylethyl)azanium dibromide Traditional Name: 10-[diethyl(2-phenothiazin-10-ylethyl)ammonio]decyl-diethyl-(2-phenothiazin-10-ylethyl)ammonium dibromide Formula: C46H64Br2N4S2 MolecularWeight: 896.96516

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCCCCCCCC[N+](CC)(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCN4C5=CC=CC=C5SC6=CC=CC=C64.[Br-].[Br-]

Isomeric SMILES

CC[N+](CC)(CCCCCCCCCC[N+](CC)(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCN4C5=CC=CC=C5SC6=CC=CC=C64.[Br-].[Br-]

InChI

InChI=1S/C46H64N4S2.2BrH/c1-5-49(6-2,37-33-47-39-25-15-19-29-43(39)51-44-30-20-16-26-40(44)47)35-23-13-11-9-10-12-14-24-36-50(7-3,8-4)38-34-48-41-27-17-21-31-45(41)52-46-32-22-18-28-42(46)48;;/h15-22,25-32H,5-14,23-24,33-38H2,1-4H3;2*1H/q+2;;/p-2