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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C22H31BrNO3+ MolecularWeight: 437.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C22H30BrNO3/c1-4-25-12-6-11-24-15-19-13-20(23)22(21(14-19)26-5-2)27-16-18-9-7-17(3)8-10-18/h7-10,13-14,24H,4-6,11-12,15-16H2,1-3H3/p+1