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

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C18H24Br2N2O+2 MolecularWeight: 444.20396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Br2N2O/c1-21-8-5-9-22-12-15-10-16(19)18(17(20)11-15)23-13-14-6-3-2-4-7-14/h2-4,6-7,10-11,21-22H,5,8-9,12-13H2,1H3/p+2