(4-methoxy-3-oxidanyl-phenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methoxy-3-oxidanyl-phenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (3-hydroxy-4-methoxy-phenyl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (3-hydroxy-4-methoxyphenyl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-hydroxy-4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (3-hydroxy-4-methoxy-benzyl)-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CN=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CN=CC=C3)O

InChI

InChI=1S/C20H21N3O2/c1-25-20-5-4-17(11-19(20)24)14-23(13-16-6-9-21-10-7-16)15-18-3-2-8-22-12-18/h2-12,24H,13-15H2,1H3/p+1