1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-chlorophenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (4-chlorobenzyl)-piperonyl-(4-pyridylmethyl)ammonium Formula: C21H20ClN2O2+ MolecularWeight: 367.8487

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH+](CC3=CC=C(C=C3)Cl)CC4=CC=NC=C4

InChI

InChI=1S/C21H19ClN2O2/c22-19-4-1-16(2-5-19)12-24(13-17-7-9-23-10-8-17)14-18-3-6-20-21(11-18)26-15-25-20/h1-11H,12-15H2/p+1