1-[(1S)-1-(4-methylphenyl)ethyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(1S)-1-(4-methylphenyl)ethyl]piperidin-1-ium-4-one Openeye Name: 1-[(1S)-1-(p-tolyl)ethyl]piperidin-1-ium-4-one CAS Name: 1-[(1S)-1-(4-methylphenyl)ethyl]-4-piperidin-1-iumone IUPAC Name: 1-[(1S)-1-(4-methylphenyl)ethyl]piperidin-1-ium-4-one Traditional Name: 1-[(1S)-1-(p-tolyl)ethyl]piperidin-1-ium-4-one Formula: C14H20NO+ MolecularWeight: 218.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)[NH+]2CCC(=O)CC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C)[NH+]2CCC(=O)CC2

InChI

InChI=1S/C14H19NO/c1-11-3-5-13(6-4-11)12(2)15-9-7-14(16)8-10-15/h3-6,12H,7-10H2,1-2H3/p+1/t12-/m0/s1