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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: benzyl-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C24H27BrNO2+ MolecularWeight: 441.38068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C24H26BrNO2/c1-3-27-23-14-21(16-26-15-19-7-5-4-6-8-19)13-22(25)24(23)28-17-20-11-9-18(2)10-12-20/h4-14,26H,3,15-17H2,1-2H3/p+1