3-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 3-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 3-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 3-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 3-cyano-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-26-19-7-5-17(6-8-19)20(24-9-11-27-12-10-24)15-23-21(25)18-4-2-3-16(13-18)14-22/h2-8,13,20H,9-12,15H2,1H3,(H,23,25)/p+1/t20-/m0/s1