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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [2-(2-chlorobenzyl)oxy-3-methoxy-benzyl]-piperonyl-ammonium Formula: C23H23ClNO4+ MolecularWeight: 412.88602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22ClNO4/c1-26-21-8-4-6-17(23(21)27-14-18-5-2-3-7-19(18)24)13-25-12-16-9-10-20-22(11-16)29-15-28-20/h2-11,25H,12-15H2,1H3/p+1