[3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (3,5-dibromo-4-ethoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3,5-dibromo-4-ethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3,5-dibromo-4-ethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (3,5-dibromo-4-ethoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C13H22Br2N2O+2 MolecularWeight: 382.13458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]CCC[NH2+]C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]CCC[NH2+]C)Br

InChI

InChI=1S/C13H20Br2N2O/c1-3-18-13-11(14)7-10(8-12(13)15)9-17-6-4-5-16-2/h7-8,16-17H,3-6,9H2,1-2H3/p+2