[3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-hexyl-azanium

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]phenyl]methyl-hexyl-azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-hexyl-ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-hexylammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl-hexylazanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-benzyl]-hexyl-ammonium Formula: C20H26BrClNO+ MolecularWeight: 411.78354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C20H25BrClNO/c1-2-3-4-5-12-23-14-17-8-11-20(19(21)13-17)24-15-16-6-9-18(22)10-7-16/h6-11,13,23H,2-5,12,14-15H2,1H3/p+1