[4-fluoranyl-3-[(3-methyl-4-propan-2-yl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-[(3-methyl-4-propan-2-yl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [4-fluoro-3-[(4-isopropyl-3-methyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [4-fluoro-3-[(3-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [4-fluoro-3-[(3-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methylazanium Traditional Name: [4-fluoro-3-[(4-isopropyl-3-methyl-phenoxy)methyl]benzyl]ammonium Formula: C18H23FNO+ MolecularWeight: 288.379723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FNO/c1-12(2)17-6-5-16(8-13(17)3)21-11-15-9-14(10-20)4-7-18(15)19/h4-9,12H,10-11,20H2,1-3H3/p+1