(2R,3S)-2-(4-bromophenyl)-3-(4-methylphenyl)-3-morpholin-4-ium-4-yl-propanenitrile

Systemtic Name: (2R,3S)-2-(4-bromophenyl)-3-(4-methylphenyl)-3-morpholin-4-ium-4-yl-propanenitrile Openeye Name: (2R,3S)-2-(4-bromophenyl)-3-morpholin-4-ium-4-yl-3-(p-tolyl)propanenitrile CAS Name: (2R,3S)-2-(4-bromophenyl)-3-(4-methylphenyl)-3-(4-morpholin-4-iumyl)propanenitrile IUPAC Name: (2R,3S)-2-(4-bromophenyl)-3-(4-methylphenyl)-3-morpholin-4-ium-4-ylpropanenitrile Traditional Name: (2R,3S)-2-(4-bromophenyl)-3-morpholin-4-ium-4-yl-3-(p-tolyl)propionitrile Formula: C20H22BrN2O+ MolecularWeight: 386.30548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C#N)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]([C@H](C#N)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

InChI

InChI=1S/C20H21BrN2O/c1-15-2-4-17(5-3-15)20(23-10-12-24-13-11-23)19(14-22)16-6-8-18(21)9-7-16/h2-9,19-20H,10-13H2,1H3/p+1/t19-,20-/m1/s1