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

Systemtic Name: 3-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(2-benzyloxy-5-bromo-3-methoxy-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(2-benzoxy-5-bromo-3-methoxy-benzyl)ammonio]propyl-diethyl-ammonium Formula: C22H33BrN2O2+2 MolecularWeight: 437.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C22H31BrN2O2/c1-4-25(5-2)13-9-12-24-16-19-14-20(23)15-21(26-3)22(19)27-17-18-10-7-6-8-11-18/h6-8,10-11,14-15,24H,4-5,9,12-13,16-17H2,1-3H3/p+2