(4-methylphenyl)methyl-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methylphenyl)methyl-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: p-tolylmethyl-[[2-(2-pyridylmethoxy)phenyl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[[2-(2-pyridinylmethoxy)phenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-methylphenyl)methyl-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (4-methylbenzyl)-[2-(2-pyridylmethoxy)benzyl]-(4-pyridylmethyl)ammonium Formula: C27H28N3O+ MolecularWeight: 410.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC=CC=C3OCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CC=CC=C3OCC4=CC=CC=N4

InChI

InChI=1S/C27H27N3O/c1-22-9-11-23(12-10-22)18-30(19-24-13-16-28-17-14-24)20-25-6-2-3-8-27(25)31-21-26-7-4-5-15-29-26/h2-17H,18-21H2,1H3/p+1