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

Systemtic Name: [2-[(4-bromanyl-2-propan-2-yl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [2-[(4-bromo-2-isopropyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [2-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [2-[(4-bromo-2-propan-2-ylphenoxy)methyl]phenyl]methylazanium Traditional Name: [2-[(4-bromo-2-isopropyl-phenoxy)methyl]benzyl]ammonium Formula: C17H21BrNO+ MolecularWeight: 335.25874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO/c1-12(2)16-9-15(18)7-8-17(16)20-11-14-6-4-3-5-13(14)10-19/h3-9,12H,10-11,19H2,1-2H3/p+1