2-iodanylethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate chloride

Systemtic Name: 2-iodanylethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate chloride Openeye Name: 2-iodoethyl N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamate chloride CAS Name: N-[2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl]carbamic acid 2-iodoethyl ester chloride IUPAC Name: 2-iodoethyl N-[2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl]carbamate chloride Traditional Name: N-[2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl]carbamic acid 2-iodoethyl ester chloride Formula: C20H25ClIN3O3 MolecularWeight: 517.78827

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)OCCI.[Cl-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCNC(=O)OCCI.[Cl-]

InChI

InChI=1S/C20H24IN3O3.ClH/c1-2-13-24-14-6-7-16(10-12-22-20(26)27-15-11-21)18(24)19(25)23-17-8-4-3-5-9-17;/h3-9,14H,2,10-13,15H2,1H3,(H-,22,23,25,26);1H