[(3S)-1-methylpiperidin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-phenyl-methanone Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-phenyl-methanone CAS Name: [(3S)-1-methyl-3-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-phenylmethanone Traditional Name: [(3S)-1-methylpiperidin-1-ium-3-yl]-phenyl-methanone Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO/c1-14-9-5-8-12(10-14)13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/p+1/t12-/m0/s1