2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl nonanoate chloride hydroiodide

Systemtic Name: 2-(2-pyridin-1-ium-1-ylethanoylamino)ethyl nonanoate chloride hydroiodide Openeye Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl nonanoate chloride hydroiodide CAS Name: nonanoic acid 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]ethyl ester chloride hydroiodide IUPAC Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl nonanoate chloride hydroiodide Traditional Name: pelargonic acid 2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl ester chloride hydroiodide Formula: C18H30ClIN2O3 MolecularWeight: 484.79987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-].I

Isomeric SMILES

CCCCCCCCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-].I

InChI

InChI=1S/C18H28N2O3.ClH.HI/c1-2-3-4-5-6-8-11-18(22)23-15-12-19-17(21)16-20-13-9-7-10-14-20;;/h7,9-10,13-14H,2-6,8,11-12,15-16H2,1H3;2*1H