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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloranyl-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-benzyloxy-3-chloro-phenyl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3-chloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-chloro-benzyl)-piperonyl-ammonium Formula: C22H21ClNO3+ MolecularWeight: 382.86004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO3/c23-19-10-17(6-8-20(19)25-14-16-4-2-1-3-5-16)12-24-13-18-7-9-21-22(11-18)27-15-26-21/h1-11,24H,12-15H2/p+1