N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide iodide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-thioxanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-thioxanthene-9-carboxamide iodide Formula: C29H39IN2OS MolecularWeight: 590.60223

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3SC4=CC=CC=C24)CC5CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3SC4=CC=CC=C24)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C29H38N2OS.HI/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28;/h7-10,13-16,22-23,28H,2-6,11-12,17-21H2,1H3;1H