4-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethanoyl]benzenecarbonitrile Openeye Name: 4-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-acetyl]benzonitrile CAS Name: 4-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylacetyl]benzonitrile Traditional Name: 4-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-acetyl]benzonitrile Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3

InChI

InChI=1S/C20H20N2O3/c1-24-18-8-6-16(7-9-18)19(22-10-12-25-13-11-22)20(23)17-4-2-15(14-21)3-5-17/h2-9,19H,10-13H2,1H3/p+1/t19-/m1/s1