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

Systemtic Name: 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(2-iodanylethyl)carbamate iodide Openeye Name: 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl N-(2-iodoethyl)carbamate iodide CAS Name: N-(2-iodoethyl)carbamic acid 2-[2-[anilino(oxo)methyl]-1-propyl-3-pyridin-1-iumyl]ethyl ester iodide IUPAC Name: 2-[2-(phenylcarbamoyl)-1-propylpyridin-1-ium-3-yl]ethyl N-(2-iodoethyl)carbamate iodide Traditional Name: N-(2-iodoethyl)carbamic acid 2-[2-(phenylcarbamoyl)-1-propyl-pyridin-1-ium-3-yl]ethyl ester iodide Formula: C20H25I2N3O3 MolecularWeight: 609.23974

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCCI.[I-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1C(=O)NC2=CC=CC=C2)CCOC(=O)NCCI.[I-]

InChI

InChI=1S/C20H24IN3O3.HI/c1-2-13-24-14-6-7-16(10-15-27-20(26)22-12-11-21)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