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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxy-2,5-dimethylphenyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4-methoxy-2,5-dimethylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (4-methoxy-2,5-dimethyl-benzyl)-piperonyl-(4-pyridylmethyl)ammonium Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-17-11-23(27-3)18(2)10-21(17)15-26(13-19-6-8-25-9-7-19)14-20-4-5-22-24(12-20)29-16-28-22/h4-12H,13-16H2,1-3H3/p+1