(2S,5S)-1,2,5-trimethyl-1-prop-2-enyl-piperidin-1-ium-4-one

Systemtic Name: (2S,5S)-1,2,5-trimethyl-1-prop-2-enyl-piperidin-1-ium-4-one Openeye Name: (2S,5S)-1-allyl-1,2,5-trimethyl-piperidin-1-ium-4-one CAS Name: (2S,5S)-1,2,5-trimethyl-1-prop-2-enyl-4-piperidin-1-iumone IUPAC Name: (2S,5S)-1,2,5-trimethyl-1-prop-2-enylpiperidin-1-ium-4-one Traditional Name: (2S,5S)-1-allyl-1,2,5-trimethyl-piperidin-1-ium-4-one Formula: C11H20NO+ MolecularWeight: 182.2826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C[N+]1(C)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C11H20NO/c1-5-6-12(4)8-9(2)11(13)7-10(12)3/h5,9-10H,1,6-8H2,2-4H3/q+1/t9-,10-,12?/m0/s1