N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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