4-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propoxy]benzoate

Systemtic Name: 4-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propoxy]benzoate Openeye Name: 4-[3-[methyl-[2-(4-pyridyl)ethyl]ammonio]propoxy]benzoate CAS Name: 4-[3-[methyl(2-pyridin-4-ylethyl)ammonio]propoxy]benzoate IUPAC Name: 4-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propoxy]benzoate Traditional Name: 4-[3-[methyl-[2-(4-pyridyl)ethyl]ammonio]propoxy]benzoate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC1=CC=C(C=C1)C(=O)[O-])CCC2=CC=NC=C2

Isomeric SMILES

C[NH+](CCCOC1=CC=C(C=C1)C(=O)[O-])CCC2=CC=NC=C2

InChI

InChI=1S/C18H22N2O3/c1-20(13-9-15-7-10-19-11-8-15)12-2-14-23-17-5-3-16(4-6-17)18(21)22/h3-8,10-11H,2,9,12-14H2,1H3,(H,21,22)