(3-methoxy-4-phenylmethoxy-phenyl)methyl-(pyridin-1-ium-3-ylmethyl)azanium

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-(pyridin-1-ium-3-ylmethyl)azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-(pyridin-1-ium-3-ylmethyl)ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-(3-pyridin-1-iumylmethyl)ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-(pyridin-1-ium-3-ylmethyl)azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-(pyridin-1-ium-3-ylmethyl)ammonium Formula: C21H24N2O2+2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=C[NH+]=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=C[NH+]=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-24-21-12-18(13-23-15-19-8-5-11-22-14-19)9-10-20(21)25-16-17-6-3-2-4-7-17/h2-12,14,23H,13,15-16H2,1H3/p+2