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

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C21H21N3O3/c1-25-19-9-18(10-20-21(19)27-15-26-20)14-24(12-16-4-7-22-8-5-16)13-17-3-2-6-23-11-17/h2-11H,12-15H2,1H3/p+1