(3-bromanyl-5-ethoxy-4-pentoxy-phenyl)methyl-methyl-azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-pentoxy-phenyl)methyl-methyl-azanium Openeye Name: (3-bromo-5-ethoxy-4-pentoxy-phenyl)methyl-methyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-pentoxyphenyl)methyl-methylammonium IUPAC Name: (3-bromo-5-ethoxy-4-pentoxyphenyl)methyl-methylazanium Traditional Name: (4-amoxy-3-bromo-5-ethoxy-benzyl)-methyl-ammonium Formula: C15H25BrNO2+ MolecularWeight: 331.2685

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C[NH2+]C)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C[NH2+]C)OCC

InChI

InChI=1S/C15H24BrNO2/c1-4-6-7-8-19-15-13(16)9-12(11-17-3)10-14(15)18-5-2/h9-10,17H,4-8,11H2,1-3H3/p+1