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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium Traditional Name: (3-methoxy-4-phenethyloxy-benzyl)-piperonyl-ammonium Formula: C24H26NO4+ MolecularWeight: 392.46754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CC3=C(C=C2)OCO3)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H25NO4/c1-26-23-13-19(7-9-21(23)27-12-11-18-5-3-2-4-6-18)15-25-16-20-8-10-22-24(14-20)29-17-28-22/h2-10,13-14,25H,11-12,15-17H2,1H3/p+1