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trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]azanium bromide

trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]azanium bromide

Systemtic Name:trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]azanium bromide
Openeye Name:trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]ammonium bromide
CAS Name:trimethyl-[2-[1-oxo-4-(1-pyrenyl)butoxy]ethyl]ammonium bromide
IUPAC Name:trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]azanium bromide
Traditional Name:trimethyl-[2-(4-pyren-1-ylbutanoyloxy)ethyl]ammonium bromide
Formula: C25H28BrNO2
MolecularWeight: 454.39932
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-]


Isomeric SMILES

C[N+](C)(C)CCOC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-]


InChI

InChI=1S/C25H28NO2.BrH/c1-26(2,3)16-17-28-23(27)9-5-6-18-10-11-21-13-12-19-7-4-8-20-14-15-22(18)25(21)24(19)20;/h4,7-8,10-15H,5-6,9,16-17H2,1-3H3;1H/q+1;/p-1


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