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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)C)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C(C)(C)C)Br)OCC2=CC=CC=C2

InChI

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