(2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(2-cyanophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-cyanophenyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-cyanophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-cyanophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCC(CC2)C(=O)N3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCC(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H26N4O3/c1-15(19(25)22-18-5-3-2-4-17(18)14-21)23-8-6-16(7-9-23)20(26)24-10-12-27-13-11-24/h2-5,15-16H,6-13H2,1H3,(H,22,25)/p+1/t15-/m1/s1