(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[4-(3-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=C3)Cl

Isomeric SMILES

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

InChI

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