1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(o-tolylmethyl)-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(2-methylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-methylbenzyl)-piperonyl-(4-pyridylmethyl)ammonium Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O2/c1-17-4-2-3-5-20(17)15-24(13-18-8-10-23-11-9-18)14-19-6-7-21-22(12-19)26-16-25-21/h2-12H,13-16H2,1H3/p+1