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

Systemtic Name: [3-fluoranyl-4-(3-methyl-4-propan-2-yl-phenoxy)phenyl]methylazanium Openeye Name: [3-fluoro-4-(4-isopropyl-3-methyl-phenoxy)phenyl]methylammonium CAS Name: [3-fluoro-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]methylammonium IUPAC Name: [3-fluoro-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]methylazanium Traditional Name: [3-fluoro-4-(4-isopropyl-3-methyl-phenoxy)benzyl]ammonium Formula: C17H21FNO+ MolecularWeight: 274.353143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C[NH3+])F)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C[NH3+])F)C(C)C

InChI

InChI=1S/C17H20FNO/c1-11(2)15-6-5-14(8-12(15)3)20-17-7-4-13(10-19)9-16(17)18/h4-9,11H,10,19H2,1-3H3/p+1