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

Systemtic Name: 4-butyl-1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium Openeye Name: 4-butyl-1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium CAS Name: 4-butyl-1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium IUPAC Name: 4-butyl-1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-ium Traditional Name: 4-butyl-1-(2,4-dichlorobenzyl)-1,2,4-triazol-4-ium Formula: C13H16Cl2N3+ MolecularWeight: 285.19224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N3/c1-2-3-6-17-9-16-18(10-17)8-11-4-5-12(14)7-13(11)15/h4-5,7,9-10H,2-3,6,8H2,1H3/q+1