[5-butyl-6-(4-phenylbutoxycarbonyl)decan-5-yl]azanium bromide

Systemtic Name: [5-butyl-6-(4-phenylbutoxycarbonyl)decan-5-yl]azanium bromide Openeye Name: [1,1-dibutyl-2-(4-phenylbutoxycarbonyl)hexyl]ammonium bromide CAS Name: [5-butyl-6-[oxo(4-phenylbutoxy)methyl]decan-5-yl]ammonium bromide IUPAC Name: [5-butyl-6-(4-phenylbutoxycarbonyl)decan-5-yl]azanium bromide Traditional Name: [1,1-dibutyl-2-(4-phenylbutoxycarbonyl)hexyl]ammonium bromide Formula: C25H44BrNO2 MolecularWeight: 470.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCCCCC1=CC=CC=C1)C(CCCC)(CCCC)[NH3+].[Br-]

Isomeric SMILES

CCCCC(C(=O)OCCCCC1=CC=CC=C1)C(CCCC)(CCCC)[NH3+].[Br-]

InChI

InChI=1S/C25H43NO2.BrH/c1-4-7-18-23(25(26,19-8-5-2)20-9-6-3)24(27)28-21-14-13-17-22-15-11-10-12-16-22;/h10-12,15-16,23H,4-9,13-14,17-21,26H2,1-3H3;1H