N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-oxomethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C15H27N4O3+ MolecularWeight: 311.39988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)NC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)NC(=O)C[NH+]2CCNC(=O)C2

InChI

InChI=1S/C15H26N4O3/c1-10-4-3-5-12(11(10)2)17-15(22)18-14(21)9-19-7-6-16-13(20)8-19/h10-12H,3-9H2,1-2H3,(H,16,20)(H2,17,18,21,22)/p+1/t10-,11+,12-/m0/s1