N-[2,7-bis(bromanyl)-1-(cyclooctylmethyl)-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]methanamide iodide

Systemtic Name: N-[2,7-bis(bromanyl)-1-(cyclooctylmethyl)-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]methanamide iodide Openeye Name: N-[2,7-dibromo-1-(cyclooctylmethyl)-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]formamide iodide CAS Name: N-[2,7-dibromo-1-(cyclooctylmethyl)-1-ethyl-4-(1-piperidin-1-iumyl)-9-xanthenyl]formamide iodide IUPAC Name: N-[2,7-dibromo-1-(cyclooctylmethyl)-1-ethyl-4-piperidin-1-ium-1-ylxanthen-9-yl]formamide iodide Traditional Name: N-[2,7-dibromo-1-(cyclooctylmethyl)-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]formamide iodide Formula: C30H39Br2IN2O2 MolecularWeight: 746.35533

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=CC(=C2C1=C(C3=C(O2)C=CC(=C3)Br)NC=O)[NH+]4CCCCC4)Br)CC5CCCCCCC5.[I-]

Isomeric SMILES

CCC1(C(=CC(=C2C1=C(C3=C(O2)C=CC(=C3)Br)NC=O)[NH+]4CCCCC4)Br)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C30H38Br2N2O2.HI/c1-2-30(19-21-11-7-4-3-5-8-12-21)26(32)18-24(34-15-9-6-10-16-34)29-27(30)28(33-20-35)23-17-22(31)13-14-25(23)36-29;/h13-14,17-18,20-21H,2-12,15-16,19H2,1H3,(H,33,35);1H