(6-chloranyl-1,3-benzodioxol-5-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-phenethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-phenethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-phenethyl-(4-pyridylmethyl)ammonium Formula: C22H22ClN2O2+ MolecularWeight: 381.87528

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[NH+](CCC3=CC=CC=C3)CC4=CC=NC=C4)Cl

InChI

InChI=1S/C22H21ClN2O2/c23-20-13-22-21(26-16-27-22)12-19(20)15-25(14-18-6-9-24-10-7-18)11-8-17-4-2-1-3-5-17/h1-7,9-10,12-13H,8,11,14-16H2/p+1