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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C14H25BrN2O2+2 MolecularWeight: 333.2645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23BrN2O2/c1-4-19-14-12(15)8-11(9-13(14)18-3)10-17-7-5-6-16-2/h8-9,16-17H,4-7,10H2,1-3H3/p+2