(3-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Openeye Name: (3-benzyloxyphenyl)methyl-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium CAS Name: (3-phenylmethoxyphenyl)methyl-(3-pyridinylmethyl)-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)-(pyridin-4-ylmethyl)azanium Traditional Name: (3-benzoxybenzyl)-(3-pyridylmethyl)-(4-pyridylmethyl)ammonium Formula: C26H26N3O+ MolecularWeight: 396.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH+](CC3=CC=NC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C26H25N3O/c1-2-6-23(7-3-1)21-30-26-10-4-8-24(16-26)19-29(18-22-11-14-27-15-12-22)20-25-9-5-13-28-17-25/h1-17H,18-21H2/p+1