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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [4-(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=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=C(C=C(C=C4)F)Cl

InChI

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