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

Systemtic Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-piperazin-1-ium-1-yl-acetamide Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C[NH+]2CCNCC2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C[NH+]2CCNCC2

InChI

InChI=1S/C14H27N3O/c1-11-4-3-5-13(12(11)2)16-14(18)10-17-8-6-15-7-9-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)/p+1/t11-,12+,13-/m0/s1