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

Systemtic Name: 3-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)ammonio]propyl-diethyl-ammonium Formula: C23H35BrN2O2+2 MolecularWeight: 451.4402

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H33BrN2O2/c1-4-26(5-2)14-10-13-25-17-20-15-21(24)23(22(16-20)27-6-3)28-18-19-11-8-7-9-12-19/h7-9,11-12,15-16,25H,4-6,10,13-14,17-18H2,1-3H3/p+2