(phenylmethyl) 7-bromanyl-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide

Systemtic Name: (phenylmethyl) 7-bromanyl-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide Openeye Name: benzyl 7-bromo-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide CAS Name: 7-bromo-9-[[[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]amino]-oxomethyl]-9H-xanthene-2-carboxylic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 7-bromo-9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide Traditional Name: 7-bromo-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylic acid benzyl ester iodide Formula: C37H44BrIN2O4 MolecularWeight: 787.56473

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)OC5=C2C=C(C=C5)Br)CC6CCCCCCC6.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)OC5=C2C=C(C=C5)Br)CC6CCCCCCC6.[I-]

InChI

InChI=1S/C37H43BrN2O4.HI/c1-40(24-26-10-6-3-2-4-7-11-26)20-18-30(19-21-40)39-36(41)35-31-22-28(37(42)43-25-27-12-8-5-9-13-27)14-16-33(31)44-34-17-15-29(38)23-32(34)35;/h5,8-9,12-17,22-23,26,30,35H,2-4,6-7,10-11,18-21,24-25H2,1H3;1H