(2R)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2R)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-15(20(26)23-18-9-5-6-10-19(18)28-2)24-11-13-25(14-12-24)21(27)16-7-3-4-8-17(16)22/h3-10,15H,11-14H2,1-2H3,(H,23,26)/p+1/t15-/m1/s1