4-[(4-octylmorpholin-4-ium-4-yl)methyl]benzenecarbonitrile chloride

Systemtic Name: 4-[(4-octylmorpholin-4-ium-4-yl)methyl]benzenecarbonitrile chloride Openeye Name: 4-[(4-octylmorpholin-4-ium-4-yl)methyl]benzonitrile chloride CAS Name: 4-[(4-octyl-4-morpholin-4-iumyl)methyl]benzonitrile chloride IUPAC Name: 4-[(4-octylmorpholin-4-ium-4-yl)methyl]benzonitrile chloride Traditional Name: 4-[(4-octylmorpholin-4-ium-4-yl)methyl]benzonitrile chloride Formula: C20H31ClN2O MolecularWeight: 350.92594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCOCC1)CC2=CC=C(C=C2)C#N.[Cl-]

Isomeric SMILES

CCCCCCCC[N+]1(CCOCC1)CC2=CC=C(C=C2)C#N.[Cl-]

InChI

InChI=1S/C20H31N2O.ClH/c1-2-3-4-5-6-7-12-22(13-15-23-16-14-22)18-20-10-8-19(17-21)9-11-20;/h8-11H,2-7,12-16,18H2,1H3;1H/q+1;/p-1