(2S)-N-(4-ethanoylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-(4-mesylpiperazin-1-ium-1-yl)propionamide Formula: C16H24N3O4S+ MolecularWeight: 354.44446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O4S/c1-12(18-8-10-19(11-9-18)24(3,22)23)16(21)17-15-6-4-14(5-7-15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+1/t12-/m0/s1