(2S)-2-methyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]pentanamide

Systemtic Name: (2S)-2-methyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]pentanamide Openeye Name: (2S)-2-methyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]pentanamide CAS Name: (2S)-2-methyl-N-[2-[(2R)-2-piperidin-1-iumyl]ethyl]pentanamide IUPAC Name: (2S)-2-methyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]pentanamide Traditional Name: (2S)-2-methyl-N-[2-[(2R)-piperidin-1-ium-2-yl]ethyl]valeramide Formula: C13H27N2O+ MolecularWeight: 227.36628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NCCC1CCCC[NH2+]1

Isomeric SMILES

CCC[C@H](C)C(=O)NCC[C@H]1CCCC[NH2+]1

InChI

InChI=1S/C13H26N2O/c1-3-6-11(2)13(16)15-10-8-12-7-4-5-9-14-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)/p+1/t11-,12+/m0/s1