1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]pentan-3-ol diiodide

Systemtic Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]pentan-3-ol diiodide Openeye Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]pentan-3-ol diiodide CAS Name: 1,3-diphenyl-2-[(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)methyl]-3-pentanol diiodide IUPAC Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]pentan-3-ol diiodide Traditional Name: 1,3-diphenyl-2-[(1,4,4-trimethylpiperazine-1,4-diium-1-yl)methyl]pentan-3-ol diiodide Formula: C50H76I2N4O2+2 MolecularWeight: 1018.97298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O.CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O.[I-].[I-]

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O.CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)C[N+]3(CC[N+](CC3)(C)C)C)O.[I-].[I-]

InChI

InChI=1S/2C25H38N2O.2HI/c2*1-5-25(28,23-14-10-7-11-15-23)24(20-22-12-8-6-9-13-22)21-27(4)18-16-26(2,3)17-19-27;;/h2*6-15,24,28H,5,16-21H2,1-4H3;2*1H/q2*+2;;/p-2