(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propionamide Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN4O/c1-15(20(26)23-18-8-4-2-6-16(18)14-22)24-10-12-25(13-11-24)19-9-5-3-7-17(19)21/h2-9,15H,10-13H2,1H3,(H,23,26)/p+1/t15-/m1/s1