cyclooctyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: cyclooctyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: cyclooctyl-[3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C25H35NO2/c1-3-27-25-17-22(18-26-23-9-7-5-4-6-8-10-23)15-16-24(25)28-19-21-13-11-20(2)12-14-21/h11-17,23,26H,3-10,18-19H2,1-2H3/p+1