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

Systemtic Name: N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N2,N2-dimethyl-9H-xanthene-2,9-dicarboxamide iodide Openeye Name: N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N2,N2-dimethyl-9H-xanthene-2,9-dicarboxamide iodide CAS Name: N9-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-N2,N2-dimethyl-9H-xanthene-2,9-dicarboxamide iodide IUPAC Name: 9-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2-N,2-N-dimethyl-9H-xanthene-2,9-dicarboxamide iodide Traditional Name: N'-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-N,N-dimethyl-9H-xanthene-2,9-dicarboxamide iodide Formula: C32H44IN3O3 MolecularWeight: 645.61453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43N3O3.HI/c1-34(2)32(37)24-15-16-29-27(21-24)30(26-13-9-10-14-28(26)38-29)31(36)33-25-17-19-35(3,20-18-25)22-23-11-7-5-4-6-8-12-23;/h9-10,13-16,21,23,25,30H,4-8,11-12,17-20,22H2,1-3H3;1H