(3S,4S)-4,6,6-trimethyl-4-oxidanyl-3-pyridin-1-ium-1-yl-piperidin-2-one

Systemtic Name: (3S,4S)-4,6,6-trimethyl-4-oxidanyl-3-pyridin-1-ium-1-yl-piperidin-2-one Openeye Name: (3S,4S)-4-hydroxy-4,6,6-trimethyl-3-pyridin-1-ium-1-yl-piperidin-2-one CAS Name: (3S,4S)-4-hydroxy-4,6,6-trimethyl-3-(1-pyridin-1-iumyl)-2-piperidinone IUPAC Name: (3S,4S)-4-hydroxy-4,6,6-trimethyl-3-pyridin-1-ium-1-ylpiperidin-2-one Traditional Name: (3S,4S)-4-hydroxy-4,6,6-trimethyl-3-pyridin-1-ium-1-yl-2-piperidone Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=O)N1)[N+]2=CC=CC=C2)(C)O)C

Isomeric SMILES

C[C@@]1(CC(NC(=O)[C@H]1[N+]2=CC=CC=C2)(C)C)O

InChI

InChI=1S/C13H18N2O2/c1-12(2)9-13(3,17)10(11(16)14-12)15-7-5-4-6-8-15/h4-8,10,17H,9H2,1-3H3/p+1/t10-,13+/m1/s1