4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium bromide

Systemtic Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium bromide Openeye Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium bromide CAS Name: 4-(4-chlorophenyl)butyl-diethyl-heptylammonium bromide IUPAC Name: 4-(4-chlorophenyl)butyl-diethyl-heptylazanium bromide Traditional Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium bromide Formula: C21H37BrClN MolecularWeight: 418.88218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.[Br-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.[Br-]

InChI

InChI=1S/C21H37ClN.BrH/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;/h14-17H,4-13,18-19H2,1-3H3;1H/q+1;/p-1