(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-ethoxypropyl)azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-ethoxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-(3-ethoxypropyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-ethoxypropyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-ethoxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(3-ethoxypropyl)ammonium Formula: C21H29BrNO3+ MolecularWeight: 423.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO3/c1-3-24-12-8-11-23-15-18-13-19(22)21(20(14-18)25-4-2)26-16-17-9-6-5-7-10-17/h5-7,9-10,13-14,23H,3-4,8,11-12,15-16H2,1-2H3/p+1