[4-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [4-[(2-bromanyl-4,6-dimethyl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [4-[(2-bromo-4,6-dimethyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [4-[(2-bromo-4,6-dimethylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [4-[(2-bromo-4,6-dimethylphenoxy)methyl]phenyl]methylazanium Traditional Name: [4-[(2-bromo-4,6-dimethyl-phenoxy)methyl]benzyl]ammonium Formula: C16H19BrNO+ MolecularWeight: 321.23216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C[NH3+])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C[NH3+])C

InChI

InChI=1S/C16H18BrNO/c1-11-7-12(2)16(15(17)8-11)19-10-14-5-3-13(9-18)4-6-14/h3-8H,9-10,18H2,1-2H3/p+1