2-[2-(phenylmethyl)pyridin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-(phenylmethyl)pyridin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(2-benzylpyridin-1-ium-1-yl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-(phenylmethyl)-1-pyridin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(2-benzylpyridin-1-ium-1-yl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(2-benzylpyridin-1-ium-1-yl)-1-pyrrolidino-ethanone Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[N+]2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C[N+]2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C18H21N2O/c21-18(19-11-6-7-12-19)15-20-13-5-4-10-17(20)14-16-8-2-1-3-9-16/h1-5,8-10,13H,6-7,11-12,14-15H2/q+1