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

Systemtic Name: (phenylmethyl) 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide Openeye Name: benzyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide CAS Name: 9-[[[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]amino]-oxomethyl]-9H-xanthene-2-carboxylic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide Traditional Name: 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylic acid benzyl ester iodide Formula: C37H45IN2O4 MolecularWeight: 708.66867

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=C2C=C(C=C4)C(=O)OCC5=CC=CC=C5)CC6CCCCCCC6.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=C2C=C(C=C4)C(=O)OCC5=CC=CC=C5)CC6CCCCCCC6.[I-]

InChI

InChI=1S/C37H44N2O4.HI/c1-39(25-27-12-6-3-2-4-7-13-27)22-20-30(21-23-39)38-36(40)35-31-16-10-11-17-33(31)43-34-19-18-29(24-32(34)35)37(41)42-26-28-14-8-5-9-15-28;/h5,8-11,14-19,24,27,30,35H,2-4,6-7,12-13,20-23,25-26H2,1H3;1H