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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-butyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-butyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-butylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-butylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-butyl-ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO2/c1-3-5-11-22-14-17-12-18(21)20(19(13-17)23-4-2)24-15-16-9-7-6-8-10-16/h6-10,12-13,22H,3-5,11,14-15H2,1-2H3/p+1