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

Systemtic Name: 3-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-benzoxy-3-bromo-5-ethoxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C21H31BrN2O2+2 MolecularWeight: 423.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+](C)C)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29BrN2O2/c1-4-25-20-14-18(15-23-11-8-12-24(2)3)13-19(22)21(20)26-16-17-9-6-5-7-10-17/h5-7,9-10,13-14,23H,4,8,11-12,15-16H2,1-3H3/p+2