1,3-benzodioxol-5-ylmethyl-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloranyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: [3-chloro-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-piperonyl-ammonium Formula: C24H24ClFNO4+ MolecularWeight: 444.903063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)Cl)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H23ClFNO4/c1-2-28-23-11-18(13-27-12-17-5-8-21-22(10-17)31-15-30-21)9-20(25)24(23)29-14-16-3-6-19(26)7-4-16/h3-11,27H,2,12-15H2,1H3/p+1