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

Systemtic Name: (3-bromanyl-4-ethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (3-bromo-4-ethoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3-bromo-4-ethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3-bromo-4-ethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (3-bromo-4-ethoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C13H23BrN2O+2 MolecularWeight: 303.23852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21BrN2O/c1-3-17-13-6-5-11(9-12(13)14)10-16-8-4-7-15-2/h5-6,9,15-16H,3-4,7-8,10H2,1-2H3/p+2