2,7-bis(bromanyl)-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide

Systemtic Name: 2,7-bis(bromanyl)-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Openeye Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CAS Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide iodide IUPAC Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Traditional Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Formula: C29H37Br2IN2O2 MolecularWeight: 732.32875

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Br)OC4=C2C=C(C=C4)Br)CC5CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Br)OC4=C2C=C(C=C4)Br)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C29H36Br2N2O2.HI/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28;/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3;1H