4-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethoxy]benzoate

Systemtic Name: 4-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethoxy]benzoate Openeye Name: 4-[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]ethoxy]benzoate CAS Name: 4-[2-[methyl(2-pyridin-4-ylethyl)ammonio]ethoxy]benzoate IUPAC Name: 4-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethoxy]benzoate Traditional Name: 4-[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]ethoxy]benzoate Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)CCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)CCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3/c1-19(11-8-14-6-9-18-10-7-14)12-13-22-16-4-2-15(3-5-16)17(20)21/h2-7,9-10H,8,11-13H2,1H3,(H,20,21)