1,3-benzodioxol-5-ylmethyl-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-piperonyl-ammonium Formula: C23H22ClFNO4+ MolecularWeight: 430.876483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H21ClFNO4/c1-27-21-4-2-3-16(23(21)28-13-17-6-7-18(25)10-19(17)24)12-26-11-15-5-8-20-22(9-15)30-14-29-20/h2-10,26H,11-14H2,1H3/p+1