4-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzonitrile CAS Name: 4-[[(2S)-2-methyl-4-morpholin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzonitrile Traditional Name: 4-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]benzonitrile Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H16N2O/c1-11-9-15(6-7-16-11)10-13-4-2-12(8-14)3-5-13/h2-5,11H,6-7,9-10H2,1H3/p+1/t11-/m0/s1