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

Systemtic Name: 4-[(4-heptylmorpholin-4-ium-4-yl)methyl]benzenecarbonitrile chloride Openeye Name: 4-[(4-heptylmorpholin-4-ium-4-yl)methyl]benzonitrile chloride CAS Name: 4-[(4-heptyl-4-morpholin-4-iumyl)methyl]benzonitrile chloride IUPAC Name: 4-[(4-heptylmorpholin-4-ium-4-yl)methyl]benzonitrile chloride Traditional Name: 4-[(4-heptylmorpholin-4-ium-4-yl)methyl]benzonitrile chloride Formula: C19H29ClN2O MolecularWeight: 336.89936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N2O.ClH/c1-2-3-4-5-6-11-21(12-14-22-15-13-21)17-19-9-7-18(16-20)8-10-19;/h7-10H,2-6,11-15,17H2,1H3;1H/q+1;/p-1