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

Systemtic Name: 3-[(5-bromanyl-2-phenylmethoxy-phenyl)methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[(2-benzyloxy-5-bromo-phenyl)methylammonio]propyl-diethyl-ammonium CAS Name: 3-[(5-bromo-2-phenylmethoxyphenyl)methylammonio]propyl-diethylammonium IUPAC Name: 3-[(5-bromo-2-phenylmethoxyphenyl)methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[(2-benzoxy-5-bromo-benzyl)ammonio]propyl-diethyl-ammonium Formula: C21H31BrN2O+2 MolecularWeight: 407.38764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O/c1-3-24(4-2)14-8-13-23-16-19-15-20(22)11-12-21(19)25-17-18-9-6-5-7-10-18/h5-7,9-12,15,23H,3-4,8,13-14,16-17H2,1-2H3/p+2