(3S,5S)-5-methyl-3-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S,5S)-5-methyl-3-[4-(phenylcarbonyl)piperidin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S,5S)-3-(4-benzoylpiperidin-1-ium-1-yl)-5-methyl-tetrahydrofuran-2-one CAS Name: (3S,5S)-3-(4-benzoyl-1-piperidin-1-iumyl)-5-methyl-2-oxolanone IUPAC Name: (3S,5S)-3-(4-benzoylpiperidin-1-ium-1-yl)-5-methyloxolan-2-one Traditional Name: (3S,5S)-3-(4-benzoylpiperidin-1-ium-1-yl)-5-methyl-tetrahydrofuran-2-one Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)O1)[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO3/c1-12-11-15(17(20)21-12)18-9-7-14(8-10-18)16(19)13-5-3-2-4-6-13/h2-6,12,14-15H,7-11H2,1H3/p+1/t12-,15-/m0/s1