(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-piperazin-1-ium-1-yl-propionamide Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)[NH+]2CCNCC2

Isomeric SMILES

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

InChI

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