[2-[(4-bromanyl-2-ethyl-phenoxy)methyl]phenyl]methylazanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2C[NH3+]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2C[NH3+]

InChI

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