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

Systemtic Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (6-methyl-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C21H22N3O2+ MolecularWeight: 348.41828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4)OCO2

Isomeric SMILES

CC1=CC2=C(C=C1C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4)OCO2

InChI

InChI=1S/C21H21N3O2/c1-16-9-20-21(26-15-25-20)10-19(16)14-24(12-17-4-7-22-8-5-17)13-18-3-2-6-23-11-18/h2-11H,12-15H2,1H3/p+1