(2S)-2-methyl-N-(piperidin-1-ium-4-ylmethyl)pentanamide

Systemtic Name: (2S)-2-methyl-N-(piperidin-1-ium-4-ylmethyl)pentanamide Openeye Name: (2S)-2-methyl-N-(piperidin-1-ium-4-ylmethyl)pentanamide CAS Name: (2S)-2-methyl-N-(4-piperidin-1-iumylmethyl)pentanamide IUPAC Name: (2S)-2-methyl-N-(piperidin-1-ium-4-ylmethyl)pentanamide Traditional Name: (2S)-2-methyl-N-(piperidin-1-ium-4-ylmethyl)valeramide Formula: C12H25N2O+ MolecularWeight: 213.3397

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NCC1CC[NH2+]CC1

Isomeric SMILES

CCC[C@H](C)C(=O)NCC1CC[NH2+]CC1

InChI

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