[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium

Systemtic Name: [3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methyl-(3-oxidanylpropyl)azanium Openeye Name: [3-(difluoromethoxy)-4-methoxy-phenyl]methyl-(3-hydroxypropyl)ammonium CAS Name: [3-(difluoromethoxy)-4-methoxyphenyl]methyl-(3-hydroxypropyl)ammonium IUPAC Name: [3-(difluoromethoxy)-4-methoxyphenyl]methyl-(3-hydroxypropyl)azanium Traditional Name: [3-(difluoromethoxy)-4-methoxy-benzyl]-(3-hydroxypropyl)ammonium Formula: C12H18F2NO3+ MolecularWeight: 262.273026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCO)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCO)OC(F)F

InChI

InChI=1S/C12H17F2NO3/c1-17-10-4-3-9(8-15-5-2-6-16)7-11(10)18-12(13)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3/p+1