(2S)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: (2S)-2-(4-cyclopentylcarbonylpiperazin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide Openeye Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: (2S)-2-[4-[cyclopentyl(oxo)methyl]-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: (2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-ium-1-yl]-N-[2-(methylthio)phenyl]propionamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)C(=O)C3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCN(CC2)C(=O)C3CCCC3

InChI

InChI=1S/C20H29N3O2S/c1-15(19(24)21-17-9-5-6-10-18(17)26-2)22-11-13-23(14-12-22)20(25)16-7-3-4-8-16/h5-6,9-10,15-16H,3-4,7-8,11-14H2,1-2H3,(H,21,24)/p+1/t15-/m0/s1