(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: (2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide CAS Name: (2S)-2-(3-oxo-1-piperazin-1-iumyl)-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-mesityl-propionamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)[NH+]2CCNC(=O)C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)[C@H](C)[NH+]2CCNC(=O)C2)C

InChI

InChI=1S/C16H23N3O2/c1-10-7-11(2)15(12(3)8-10)18-16(21)13(4)19-6-5-17-14(20)9-19/h7-8,13H,5-6,9H2,1-4H3,(H,17,20)(H,18,21)/p+1/t13-/m0/s1