[(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoranyl-4-methyl-phenyl)methyl]azanium

Systemtic Name: [(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoranyl-4-methyl-phenyl)methyl]azanium Openeye Name: [(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methyl-phenyl)methyl]ammonium CAS Name: [(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methylphenyl)methyl]ammonium IUPAC Name: [(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methylphenyl)methyl]azanium Traditional Name: [(R)-3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-fluoro-4-methyl-phenyl)methyl]ammonium Formula: C17H19FNO2+ MolecularWeight: 288.336663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCCCO3)[NH3+])F

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C2=CC3=C(C=C2)OCCCO3)[NH3+])F

InChI

InChI=1S/C17H18FNO2/c1-11-3-4-12(9-14(11)18)17(19)13-5-6-15-16(10-13)21-8-2-7-20-15/h3-6,9-10,17H,2,7-8,19H2,1H3/p+1/t17-/m0/s1