(2S,5S)-2,5-dimethyl-1-prop-2-ynyl-piperidin-1-ium-4-one

Systemtic Name: (2S,5S)-2,5-dimethyl-1-prop-2-ynyl-piperidin-1-ium-4-one Openeye Name: (2S,5S)-2,5-dimethyl-1-prop-2-ynyl-piperidin-1-ium-4-one CAS Name: (2S,5S)-2,5-dimethyl-1-prop-2-ynyl-4-piperidin-1-iumone IUPAC Name: (2S,5S)-2,5-dimethyl-1-prop-2-ynylpiperidin-1-ium-4-one Traditional Name: (2S,5S)-2,5-dimethyl-1-propargyl-piperidin-1-ium-4-one Formula: C10H16NO+ MolecularWeight: 166.24014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C[NH+]1CC#C)C

Isomeric SMILES

C[C@H]1CC(=O)[C@H](C[NH+]1CC#C)C

InChI

InChI=1S/C10H15NO/c1-4-5-11-7-8(2)10(12)6-9(11)3/h1,8-9H,5-7H2,2-3H3/p+1/t8-,9-/m0/s1