2-(3-methylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(3-methylpyridin-1-ium-1-yl)ethanone CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(3-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(3-methylpyridin-1-ium-1-yl)ethanone Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+](=CC=C1)CC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N2O/c1-17-6-5-11-21(15-17)16-20(23)22-12-9-19(10-13-22)14-18-7-3-2-4-8-18/h2-8,11,15,19H,9-10,12-14,16H2,1H3/q+1