(2S)-2-methyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pentanamide

Systemtic Name: (2S)-2-methyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pentanamide Openeye Name: (2S)-2-methyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pentanamide CAS Name: (2S)-2-methyl-N-[[(3R)-3-piperidin-1-iumyl]methyl]pentanamide IUPAC Name: (2S)-2-methyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]pentanamide Traditional Name: (2S)-2-methyl-N-[[(3R)-piperidin-1-ium-3-yl]methyl]valeramide Formula: C12H25N2O+ MolecularWeight: 213.3397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NCC1CCC[NH2+]C1

Isomeric SMILES

CCC[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1

InChI

InChI=1S/C12H24N2O/c1-3-5-10(2)12(15)14-9-11-6-4-7-13-8-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)/p+1/t10-,11-/m0/s1