heptyl-methyl-pentyl-(4-phenylbutyl)azanium bromide

Systemtic Name: heptyl-methyl-pentyl-(4-phenylbutyl)azanium bromide Openeye Name: heptyl-methyl-pentyl-(4-phenylbutyl)ammonium bromide CAS Name: heptyl-methyl-pentyl-(4-phenylbutyl)ammonium bromide IUPAC Name: heptyl-methyl-pentyl-(4-phenylbutyl)azanium bromide Traditional Name: amyl-heptyl-methyl-(4-phenylbutyl)ammonium bromide Formula: C23H42BrN MolecularWeight: 412.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42N.BrH/c1-4-6-8-9-15-21-24(3,20-14-7-5-2)22-16-13-19-23-17-11-10-12-18-23;/h10-12,17-18H,4-9,13-16,19-22H2,1-3H3;1H/q+1;/p-1