1-methyl-1-(7-phenoxyheptyl)-2H-pyridin-1-ium-3-carboxylate

Systemtic Name: 1-methyl-1-(7-phenoxyheptyl)-2H-pyridin-1-ium-3-carboxylate Openeye Name: 1-methyl-1-(7-phenoxyheptyl)-2H-pyridin-1-ium-3-carboxylate CAS Name: 1-methyl-1-(7-phenoxyheptyl)-2H-pyridin-1-ium-3-carboxylate IUPAC Name: 1-methyl-1-(7-phenoxyheptyl)-2H-pyridin-1-ium-3-carboxylate Traditional Name: 1-methyl-1-(7-phenoxyheptyl)-2H-pyridin-1-ium-3-carboxylate Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC=C1)C(=O)[O-])CCCCCCCOC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CC(=CC=C1)C(=O)[O-])CCCCCCCOC2=CC=CC=C2

InChI

InChI=1S/C20H27NO3/c1-21(15-10-11-18(17-21)20(22)23)14-8-3-2-4-9-16-24-19-12-6-5-7-13-19/h5-7,10-13,15H,2-4,8-9,14,16-17H2,1H3