4-(4-bromanyl-2,6-dimethyl-phenoxy)butyl-methyl-(phenylmethyl)azanium

Systemtic Name: 4-(4-bromanyl-2,6-dimethyl-phenoxy)butyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-(4-bromo-2,6-dimethyl-phenoxy)butyl]-methyl-ammonium CAS Name: 4-(4-bromo-2,6-dimethylphenoxy)butyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-(4-bromo-2,6-dimethylphenoxy)butyl]-methylazanium Traditional Name: benzyl-[4-(4-bromo-2,6-dimethyl-phenoxy)butyl]-methyl-ammonium Formula: C20H27BrNO+ MolecularWeight: 377.33848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC[NH+](C)CC2=CC=CC=C2)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC[NH+](C)CC2=CC=CC=C2)C)Br

InChI

InChI=1S/C20H26BrNO/c1-16-13-19(21)14-17(2)20(16)23-12-8-7-11-22(3)15-18-9-5-4-6-10-18/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3/p+1