3-chloranyl-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzonitrile CAS Name: 3-chloro-4-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]benzonitrile IUPAC Name: 3-chloro-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzonitrile Traditional Name: 3-chloro-4-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]benzonitrile Formula: C14H18ClN2O+ MolecularWeight: 265.75852

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C14H17ClN2O/c1-10-7-17(8-11(2)18-10)9-13-4-3-12(6-16)5-14(13)15/h3-5,10-11H,7-9H2,1-2H3/p+1/t10-,11-/m0/s1