5-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]pyridine-3-carboxylate

Systemtic Name: 5-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]pyridine-3-carboxylate Openeye Name: 5-[4-[2-(dimethylammonio)ethoxy]phenyl]pyridine-3-carboxylate CAS Name: 5-[4-[2-(dimethylammonio)ethoxy]phenyl]-3-pyridinecarboxylate IUPAC Name: 5-[4-[2-(dimethylazaniumyl)ethoxy]phenyl]pyridine-3-carboxylate Traditional Name: 5-[4-[2-(dimethylammonio)ethoxy]phenyl]nicotinate Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O3/c1-18(2)7-8-21-15-5-3-12(4-6-15)13-9-14(16(19)20)11-17-10-13/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)