1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium bromide

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium bromide Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium bromide CAS Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium bromide IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium bromide Traditional Name: 1-(2,4-dichlorobenzyl)-4-octyl-1,2,4-triazol-4-ium bromide Formula: C17H24BrCl2N3 MolecularWeight: 421.20256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CN(N=C1)CC2=C(C=C(C=C2)Cl)Cl.[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=CN(N=C1)CC2=C(C=C(C=C2)Cl)Cl.[Br-]

InChI

InChI=1S/C17H24Cl2N3.BrH/c1-2-3-4-5-6-7-10-21-13-20-22(14-21)12-15-8-9-16(18)11-17(15)19;/h8-9,11,13-14H,2-7,10,12H2,1H3;1H/q+1;/p-1