1-methyl-1-(phenylmethyl)piperidin-1-ium-3-one

Systemtic Name: 1-methyl-1-(phenylmethyl)piperidin-1-ium-3-one Openeye Name: 1-benzyl-1-methyl-piperidin-1-ium-3-one CAS Name: 1-methyl-1-(phenylmethyl)-3-piperidin-1-iumone IUPAC Name: 1-benzyl-1-methylpiperidin-1-ium-3-one Traditional Name: 1-benzyl-1-methyl-piperidin-1-ium-3-one Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(=O)C1)CC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCC(=O)C1)CC2=CC=CC=C2

InChI

InChI=1S/C13H18NO/c1-14(9-5-8-13(15)11-14)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3/q+1