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

Systemtic Name: 3-[[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(4-benzyloxy-3,5-dibromo-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(3,5-dibromo-4-phenylmethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(3,5-dibromo-4-phenylmethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(4-benzoxy-3,5-dibromo-benzyl)ammonio]propyl-diethyl-ammonium Formula: C21H30Br2N2O+2 MolecularWeight: 486.2837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28Br2N2O/c1-3-25(4-2)12-8-11-24-15-18-13-19(22)21(20(23)14-18)26-16-17-9-6-5-7-10-17/h5-7,9-10,13-14,24H,3-4,8,11-12,15-16H2,1-2H3/p+2