[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-hexyl-azanium

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-hexyl-azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-hexyl-ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-hexylammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-hexylazanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-hexyl-ammonium Formula: C21H29BrNO+ MolecularWeight: 391.36506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO/c1-3-4-5-6-13-23-15-19-14-20(22)11-12-21(19)24-16-18-9-7-17(2)8-10-18/h7-12,14,23H,3-6,13,15-16H2,1-2H3/p+1