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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-p-anisyl-ammonium Formula: C25H29BrNO3+ MolecularWeight: 471.40666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrNO3/c1-4-29-24-14-21(16-27-15-19-9-11-22(28-3)12-10-19)13-23(26)25(24)30-17-20-7-5-18(2)6-8-20/h5-14,27H,4,15-17H2,1-3H3/p+1