2-[(3S)-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanenitrile

Systemtic Name: 2-[(3S)-4-(phenylmethyl)morpholin-4-ium-3-yl]ethanenitrile Openeye Name: 2-[(3S)-4-benzylmorpholin-4-ium-3-yl]acetonitrile CAS Name: 2-[(3S)-4-(phenylmethyl)-3-morpholin-4-iumyl]acetonitrile IUPAC Name: 2-[(3S)-4-benzylmorpholin-4-ium-3-yl]acetonitrile Traditional Name: 2-[(3S)-4-benzylmorpholin-4-ium-3-yl]acetonitrile Formula: C13H17N2O+ MolecularWeight: 217.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC([NH+]1CC2=CC=CC=C2)CC#N

Isomeric SMILES

C1COC[C@@H]([NH+]1CC2=CC=CC=C2)CC#N

InChI

InChI=1S/C13H16N2O/c14-7-6-13-11-16-9-8-15(13)10-12-4-2-1-3-5-12/h1-5,13H,6,8-11H2/p+1/t13-/m0/s1