(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-2-(3-ketopiperazin-1-ium-1-yl)-N-methyl-propionamide Formula: C15H25N4O2+ MolecularWeight: 293.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H24N4O2/c1-12(19-9-8-17-13(20)10-19)14(21)18(2)15(11-16)6-4-3-5-7-15/h12H,3-10H2,1-2H3,(H,17,20)/p+1/t12-/m0/s1