3-[(3-bromanyl-4-ethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-bromanyl-4-ethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(3-bromo-4-ethoxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3-bromo-4-ethoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3-bromo-4-ethoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(3-bromo-4-ethoxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C14H25BrN2O+2 MolecularWeight: 317.2651

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCC[NH+](C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CCC[NH+](C)C)Br

InChI

InChI=1S/C14H23BrN2O/c1-4-18-14-7-6-12(10-13(14)15)11-16-8-5-9-17(2)3/h6-7,10,16H,4-5,8-9,11H2,1-3H3/p+2