1,3-benzodioxol-5-ylmethyl-[(3-phenylmethoxyphenyl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-phenylmethoxyphenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3-benzyloxyphenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-phenylmethoxyphenyl)methyl]azanium Traditional Name: (3-benzoxybenzyl)-piperonyl-ammonium Formula: C22H22NO3+ MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C22H21NO3/c1-2-5-17(6-3-1)15-24-20-8-4-7-18(11-20)13-23-14-19-9-10-21-22(12-19)26-16-25-21/h1-12,23H,13-16H2/p+1