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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [4-(2-fluorobenzyl)oxy-3-methoxy-benzyl]-piperonyl-ammonium Formula: C23H23FNO4+ MolecularWeight: 396.431423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4F

InChI

InChI=1S/C23H22FNO4/c1-26-22-10-16(6-8-20(22)27-14-18-4-2-3-5-19(18)24)12-25-13-17-7-9-21-23(11-17)29-15-28-21/h2-11,25H,12-15H2,1H3/p+1