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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-hexyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-hexyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-hexylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-hexylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-hexyl-ammonium Formula: C22H31BrNO2+ MolecularWeight: 421.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO2/c1-3-5-6-10-13-24-16-19-14-20(23)22(21(15-19)25-4-2)26-17-18-11-8-7-9-12-18/h7-9,11-12,14-15,24H,3-6,10,13,16-17H2,1-2H3/p+1