[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctyl-azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-cyclooctyl-ammonium Formula: C25H35BrNO2+ MolecularWeight: 461.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34BrNO2/c1-3-28-24-16-21(17-27-22-9-7-5-4-6-8-10-22)15-23(26)25(24)29-18-20-13-11-19(2)12-14-20/h11-16,22,27H,3-10,17-18H2,1-2H3/p+1