4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butan-2-one

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butan-2-one Openeye Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butan-2-one CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-2-butanone IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butan-2-one Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butan-2-one Formula: C11H22NO+ MolecularWeight: 184.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO/c1-9-6-10(2)8-12(7-9)5-4-11(3)13/h9-10H,4-8H2,1-3H3/p+1/t9-,10-/m0/s1