(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-2-(3-oxo-1-piperazin-1-iumyl)-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-p-cumenyl-propionamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C16H23N3O2/c1-11(2)13-4-6-14(7-5-13)18-16(21)12(3)19-9-8-17-15(20)10-19/h4-7,11-12H,8-10H2,1-3H3,(H,17,20)(H,18,21)/p+1/t12-/m0/s1