1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-chloranyl-4-fluoranyl-phenyl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]azanium Traditional Name: [(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-piperonyl-ammonium Formula: C16H16ClFNO2+ MolecularWeight: 308.755143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)F)Cl)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)F)Cl)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15ClFNO2/c1-10(12-3-4-14(18)13(17)7-12)19-8-11-2-5-15-16(6-11)21-9-20-15/h2-7,10,19H,8-9H2,1H3/p+1/t10-/m0/s1