[3-ethyl-6-(3-methoxyphenyl)hexan-3-yl]-bis(2-methylheptyl)-propyl-azanium bromide

Systemtic Name: [3-ethyl-6-(3-methoxyphenyl)hexan-3-yl]-bis(2-methylheptyl)-propyl-azanium bromide Openeye Name: [1,1-diethyl-4-(3-methoxyphenyl)butyl]-bis(2-methylheptyl)-propyl-ammonium bromide CAS Name: [3-ethyl-6-(3-methoxyphenyl)hexan-3-yl]-bis(2-methylheptyl)-propylammonium bromide IUPAC Name: [3-ethyl-6-(3-methoxyphenyl)hexan-3-yl]-bis(2-methylheptyl)-propylazanium bromide Traditional Name: [1,1-diethyl-4-(3-methoxyphenyl)butyl]-bis(2-methylheptyl)-propyl-ammonium bromide Formula: C34H64BrNO MolecularWeight: 582.78206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C[N+](CCC)(CC(C)CCCCC)C(CC)(CC)CCCC1=CC(=CC=C1)OC.[Br-]

Isomeric SMILES

CCCCCC(C)C[N+](CCC)(CC(C)CCCCC)C(CC)(CC)CCCC1=CC(=CC=C1)OC.[Br-]

InChI

InChI=1S/C34H64NO.BrH/c1-9-14-16-20-30(6)28-35(26-11-3,29-31(7)21-17-15-10-2)34(12-4,13-5)25-19-23-32-22-18-24-33(27-32)36-8;/h18,22,24,27,30-31H,9-17,19-21,23,25-26,28-29H2,1-8H3;1H/q+1;/p-1