[6-butoxycarbonyl-6-butyl-5-(phenylmethyl)decan-5-yl]azanium bromide

Systemtic Name: [6-butoxycarbonyl-6-butyl-5-(phenylmethyl)decan-5-yl]azanium bromide Openeye Name: (1-benzyl-2-butoxycarbonyl-1,2-dibutyl-hexyl)ammonium bromide CAS Name: [6-[butoxy(oxo)methyl]-6-butyl-5-(phenylmethyl)decan-5-yl]ammonium bromide IUPAC Name: (5-benzyl-6-butoxycarbonyl-6-butyldecan-5-yl)azanium bromide Traditional Name: (1-benzyl-2-butoxycarbonyl-1,2-dibutyl-hexyl)ammonium bromide Formula: C26H46BrNO2 MolecularWeight: 484.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)OCCCC)C(CCCC)(CC1=CC=CC=C1)[NH3+].[Br-]

Isomeric SMILES

CCCCC(CCCC)(C(=O)OCCCC)C(CCCC)(CC1=CC=CC=C1)[NH3+].[Br-]

InChI

InChI=1S/C26H45NO2.BrH/c1-5-9-18-25(19-10-6-2,24(28)29-21-12-8-4)26(27,20-11-7-3)22-23-16-14-13-15-17-23;/h13-17H,5-12,18-22,27H2,1-4H3;1H