1-(6-methoxynaphthalen-2-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide

Systemtic Name: 1-(6-methoxynaphthalen-2-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide Openeye Name: 1-(6-methoxy-2-naphthyl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide CAS Name: 1-(6-methoxy-2-naphthalenyl)-3-(1-methyl-1-piperidin-1-iumyl)-1-propanone iodide IUPAC Name: 1-(6-methoxynaphthalen-2-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide Traditional Name: 1-(6-methoxy-2-naphthyl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one iodide Formula: C20H26INO2 MolecularWeight: 439.33041

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(=O)C2=CC3=C(C=C2)C=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(=O)C2=CC3=C(C=C2)C=C(C=C3)OC.[I-]

InChI

InChI=1S/C20H26NO2.HI/c1-21(11-4-3-5-12-21)13-10-20(22)18-7-6-17-15-19(23-2)9-8-16(17)14-18;/h6-9,14-15H,3-5,10-13H2,1-2H3;1H/q+1;/p-1