1-(4-ethylmorpholin-4-ium-4-yl)-N-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimine iodide

Systemtic Name: 1-(4-ethylmorpholin-4-ium-4-yl)-N-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimine iodide Openeye Name: 1-(4-ethylmorpholin-4-ium-4-yl)-N-[2-(m-tolyl)-3,4-dihydropyrazol-5-yl]methanimine iodide CAS Name: 1-(4-ethyl-4-morpholin-4-iumyl)-N-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimine iodide IUPAC Name: 1-(4-ethylmorpholin-4-ium-4-yl)-N-[2-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]methanimine iodide Traditional Name: (4-ethylmorpholin-4-ium-4-yl)methylene-[1-(m-tolyl)-2-pyrazolin-3-yl]amine iodide Formula: C17H25IN4O MolecularWeight: 428.31107

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCOCC1)C=NC2=NN(CC2)C3=CC=CC(=C3)C.[I-]

Isomeric SMILES

CC[N+]1(CCOCC1)C=NC2=NN(CC2)C3=CC=CC(=C3)C.[I-]

InChI

InChI=1S/C17H25N4O.HI/c1-3-21(9-11-22-12-10-21)14-18-17-7-8-20(19-17)16-6-4-5-15(2)13-16;/h4-6,13-14H,3,7-12H2,1-2H3;1H/q+1;/p-1