(2S,5S)-2,5-dimethyl-1-[(1S)-1-phenylethyl]piperidin-1-ium-4-one

Systemtic Name: (2S,5S)-2,5-dimethyl-1-[(1S)-1-phenylethyl]piperidin-1-ium-4-one Openeye Name: (2S,5S)-2,5-dimethyl-1-[(1S)-1-phenylethyl]piperidin-1-ium-4-one CAS Name: (2S,5S)-2,5-dimethyl-1-[(1S)-1-phenylethyl]-4-piperidin-1-iumone IUPAC Name: (2S,5S)-2,5-dimethyl-1-[(1S)-1-phenylethyl]piperidin-1-ium-4-one Traditional Name: (2S,5S)-2,5-dimethyl-1-[(1S)-1-phenylethyl]piperidin-1-ium-4-one Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C[NH+]1C(C)C2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1CC(=O)[C@H](C[NH+]1[C@@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C15H21NO/c1-11-10-16(12(2)9-15(11)17)13(3)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3/p+1/t11-,12-,13-/m0/s1