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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium CAS Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-4-octyl-1,2,4-triazol-4-ium Traditional Name: 1-(2,4-dichlorobenzyl)-4-octyl-1,2,4-triazol-4-ium Formula: C17H24Cl2N3+ MolecularWeight: 341.29856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24Cl2N3/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/q+1