N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N2-methyl-9H-xanthene-2,9-dicarboxamide iodide

Systemtic Name: N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N2-methyl-9H-xanthene-2,9-dicarboxamide iodide Openeye Name: N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N2-methyl-9H-xanthene-2,9-dicarboxamide iodide CAS Name: N9-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-N2-methyl-9H-xanthene-2,9-dicarboxamide iodide IUPAC Name: 9-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2-N-methyl-9H-xanthene-2,9-dicarboxamide iodide Traditional Name: N'-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N-methyl-9H-xanthene-2,9-dicarboxamide iodide Formula: C31H42IN3O3 MolecularWeight: 631.58795

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5.[I-]

Isomeric SMILES

CNC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C31H41N3O3.HI/c1-32-30(35)23-14-15-28-26(20-23)29(25-12-8-9-13-27(25)37-28)31(36)33-24-16-18-34(2,19-17-24)21-22-10-6-4-3-5-7-11-22;/h8-9,12-15,20,22,24,29H,3-7,10-11,16-19,21H2,1-2H3,(H-,32,33,35,36);1H