(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C18H25BrN2O+2 MolecularWeight: 365.3079

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

C[NH2+]CCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23BrN2O/c1-20-10-5-11-21-13-16-12-17(19)8-9-18(16)22-14-15-6-3-2-4-7-15/h2-4,6-9,12,20-21H,5,10-11,13-14H2,1H3/p+2