tributyl-[2-[butyl-bis(1-phenylprop-2-enyl)azaniumyl]ethyl]azanium dichloride

Systemtic Name: tributyl-[2-[butyl-bis(1-phenylprop-2-enyl)azaniumyl]ethyl]azanium dichloride Openeye Name: tributyl-[2-[butyl-bis(1-phenylallyl)ammonio]ethyl]ammonium dichloride CAS Name: tributyl-[2-[butyl-bis(1-phenylprop-2-enyl)ammonio]ethyl]ammonium dichloride IUPAC Name: tributyl-[2-[butyl-bis(1-phenylprop-2-enyl)azaniumyl]ethyl]azanium dichloride Traditional Name: tributyl-[2-[butyl-bis(1-phenylallyl)ammonio]ethyl]ammonium dichloride Formula: C36H58Cl2N2 MolecularWeight: 589.76512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC[N+](CCCC)(C(C=C)C1=CC=CC=C1)C(C=C)C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC[N+](CCCC)(C(C=C)C1=CC=CC=C1)C(C=C)C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C36H58N2.2ClH/c1-7-13-27-37(28-14-8-2,29-15-9-3)31-32-38(30-16-10-4,35(11-5)33-23-19-17-20-24-33)36(12-6)34-25-21-18-22-26-34;;/h11-12,17-26,35-36H,5-10,13-16,27-32H2,1-4H3;2*1H/q+2;;/p-2