[2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]-phenyl-methanone iodide hydrate

Systemtic Name: [2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]-phenyl-methanone iodide hydrate Openeye Name: [2-(1-methylpyridin-1-ium-3-yl)-1-piperidyl]-phenyl-methanone iodide hydrate CAS Name: [2-(1-methyl-3-pyridin-1-iumyl)-1-piperidinyl]-phenylmethanone iodide hydrate IUPAC Name: [2-(1-methylpyridin-1-ium-3-yl)piperidin-1-yl]-phenylmethanone iodide hydrate Traditional Name: [2-(1-methylpyridin-1-ium-3-yl)piperidino]-phenyl-methanone iodide hydrate Formula: C18H23IN2O2 MolecularWeight: 426.29189

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2CCCCN2C(=O)C3=CC=CC=C3.O.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2CCCCN2C(=O)C3=CC=CC=C3.O.[I-]

InChI

InChI=1S/C18H21N2O.HI.H2O/c1-19-12-7-10-16(14-19)17-11-5-6-13-20(17)18(21)15-8-3-2-4-9-15;;/h2-4,7-10,12,14,17H,5-6,11,13H2,1H3;1H;1H2/q+1;;/p-1