2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl-pentan-3-yl-azanium diiodide

Systemtic Name: 2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl-pentan-3-yl-azanium diiodide Openeye Name: 1-ethylpropyl-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl]ammonium diiodide CAS Name: 2-[1-(1-methyl-4-pyridin-1-iumyl)-2-phenylethoxy]ethyl-pentan-3-ylammonium diiodide IUPAC Name: 2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenylethoxy]ethyl-pentan-3-ylazanium diiodide Traditional Name: 1-ethylpropyl-[2-[1-(1-methylpyridin-1-ium-4-yl)-2-phenyl-ethoxy]ethyl]ammonium diiodide Formula: C21H32I2N2O MolecularWeight: 582.30052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCOC(CC1=CC=CC=C1)C2=CC=[N+](C=C2)C.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCOC(CC1=CC=CC=C1)C2=CC=[N+](C=C2)C.[I-].[I-]

InChI

InChI=1S/C21H31N2O.2HI/c1-4-20(5-2)22-13-16-24-21(17-18-9-7-6-8-10-18)19-11-14-23(3)15-12-19;;/h6-12,14-15,20-22H,4-5,13,16-17H2,1-3H3;2*1H/q+1;;/p-1