N-(1-hexyl-1-methyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-(1-hexyl-1-methyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide Openeye Name: N-(1-hexyl-1-methyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide CAS Name: N-(1-hexyl-1-methyl-4-piperidin-1-iumyl)-9H-xanthene-9-carboxamide iodide IUPAC Name: N-(1-hexyl-1-methylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide Traditional Name: N-(1-hexyl-1-methyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide Formula: C26H35IN2O2 MolecularWeight: 534.47277

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C.[I-]

Isomeric SMILES

CCCCCC[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C.[I-]

InChI

InChI=1S/C26H34N2O2.HI/c1-3-4-5-10-17-28(2)18-15-20(16-19-28)27-26(29)25-21-11-6-8-13-23(21)30-24-14-9-7-12-22(24)25;/h6-9,11-14,20,25H,3-5,10,15-19H2,1-2H3;1H