1-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(p-tolyl)ethanone Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C15H21NO/c1-12-5-7-14(8-6-12)15(17)11-16-9-3-4-13(2)10-16/h5-8,13H,3-4,9-11H2,1-2H3/p+1/t13-/m0/s1