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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(p-tolylmethyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(4-methylbenzyl)ammonium Formula: C25H29BrNO2+ MolecularWeight: 455.40726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrNO2/c1-4-28-24-14-22(16-27-15-20-9-5-18(2)6-10-20)13-23(26)25(24)29-17-21-11-7-19(3)8-12-21/h5-14,27H,4,15-17H2,1-3H3/p+1