(4-methoxy-2,5-dimethyl-phenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methoxy-2,5-dimethyl-phenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (4-methoxy-2,5-dimethyl-phenyl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (4-methoxy-2,5-dimethylphenyl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-methoxy-2,5-dimethylphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (4-methoxy-2,5-dimethyl-benzyl)-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O/c1-17-12-22(26-3)18(2)11-21(17)16-25(14-19-6-9-23-10-7-19)15-20-5-4-8-24-13-20/h4-13H,14-16H2,1-3H3/p+1