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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-(methylamino)pyrimidin-5-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-(methylamino)pyrimidin-5-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-(methylamino)-5-pyrimidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-(methylamino)pyrimidin-5-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(methylamino)pyrimidin-5-yl]methyl-piperonyl-(4-pyridylmethyl)ammonium Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C(C=N1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC1=NC=C(C=N1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N5O2/c1-21-20-23-9-17(10-24-20)13-25(11-15-4-6-22-7-5-15)12-16-2-3-18-19(8-16)27-14-26-18/h2-10H,11-14H2,1H3,(H,21,23,24)/p+1