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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C23H33BrNO3+ MolecularWeight: 451.41702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrNO3/c1-3-5-13-26-14-9-12-25-17-20-15-21(24)23(22(16-20)27-4-2)28-18-19-10-7-6-8-11-19/h6-8,10-11,15-16,25H,3-5,9,12-14,17-18H2,1-2H3/p+1