1-[(2S)-pentan-2-yl]piperidin-1-ium-4-one

Systemtic Name: 1-[(2S)-pentan-2-yl]piperidin-1-ium-4-one Openeye Name: 1-[(1S)-1-methylbutyl]piperidin-1-ium-4-one CAS Name: 1-[(2S)-pentan-2-yl]-4-piperidin-1-iumone IUPAC Name: 1-[(2S)-pentan-2-yl]piperidin-1-ium-4-one Traditional Name: 1-[(1S)-1-methylbutyl]piperidin-1-ium-4-one Formula: C10H20NO+ MolecularWeight: 170.2719

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH+]1CCC(=O)CC1

Isomeric SMILES

CCC[C@H](C)[NH+]1CCC(=O)CC1

InChI

InChI=1S/C10H19NO/c1-3-4-9(2)11-7-5-10(12)6-8-11/h9H,3-8H2,1-2H3/p+1/t9-/m0/s1