[4-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [4-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [4-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [4-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [4-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylazanium Traditional Name: [4-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]benzyl]ammonium Formula: C18H23BrNO+ MolecularWeight: 349.28532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C18H22BrNO/c1-12(2)16-9-17(19)13(3)8-18(16)21-11-15-6-4-14(10-20)5-7-15/h4-9,12H,10-11,20H2,1-3H3/p+1