(4-azanyl-2-iodanyl-phenyl)methyl-trihexyl-azanium bromide

Systemtic Name: (4-azanyl-2-iodanyl-phenyl)methyl-trihexyl-azanium bromide Openeye Name: (4-amino-2-iodo-phenyl)methyl-trihexyl-ammonium bromide CAS Name: (4-amino-2-iodophenyl)methyl-trihexylammonium bromide IUPAC Name: (4-amino-2-iodophenyl)methyl-trihexylazanium bromide Traditional Name: (4-amino-2-iodo-benzyl)-trihexyl-ammonium bromide Formula: C25H46BrIN2 MolecularWeight: 581.45461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=C(C=C(C=C1)N)I.[Br-]

Isomeric SMILES

CCCCCC[N+](CCCCCC)(CCCCCC)CC1=C(C=C(C=C1)N)I.[Br-]

InChI

InChI=1S/C25H46IN2.BrH/c1-4-7-10-13-18-28(19-14-11-8-5-2,20-15-12-9-6-3)22-23-16-17-24(27)21-25(23)26;/h16-17,21H,4-15,18-20,22,27H2,1-3H3;1H/q+1;/p-1