2-[(3-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-ethoxy-4-phenylmethoxy-phenyl)methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[(4-benzyloxy-3-ethoxy-phenyl)methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[(3-ethoxy-4-phenylmethoxyphenyl)methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[(3-ethoxy-4-phenylmethoxyphenyl)methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[(4-benzoxy-3-ethoxy-benzyl)ammonio]ethyl-dimethyl-ammonium Formula: C20H30N2O2+2 MolecularWeight: 330.4644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2/c1-4-23-20-14-18(15-21-12-13-22(2)3)10-11-19(20)24-16-17-8-6-5-7-9-17/h5-11,14,21H,4,12-13,15-16H2,1-3H3/p+2