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

Systemtic Name: 3-[(3-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzyloxy-3-ethoxy-phenyl)methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylammonio]propyl-dimethylammonium IUPAC Name: 3-[(3-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[(4-benzoxy-3-ethoxy-benzyl)ammonio]propyl-dimethyl-ammonium Formula: C21H32N2O2+2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-4-24-21-15-19(16-22-13-8-14-23(2)3)11-12-20(21)25-17-18-9-6-5-7-10-18/h5-7,9-12,15,22H,4,8,13-14,16-17H2,1-3H3/p+2