4-cyano-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-cyano-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-cyano-N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-cyano-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=C(C=C2)C#N)[NH+]3CCOCC3

InChI

InChI=1S/C19H21N3O3/c1-14-2-7-18(25-14)17(22-8-10-24-11-9-22)13-21-19(23)16-5-3-15(12-20)4-6-16/h2-7,17H,8-11,13H2,1H3,(H,21,23)/p+1/t17-/m0/s1