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

Systemtic Name: methyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide Openeye Name: methyl 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 methyl ester iodide IUPAC Name: methyl 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 methyl ester iodide Formula: C31H41IN2O4 MolecularWeight: 632.57271

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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)OC)CC5CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=C2C=C(C=C4)C(=O)OC)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C31H40N2O4.HI/c1-33(21-22-10-6-4-3-5-7-11-22)18-16-24(17-19-33)32-30(34)29-25-12-8-9-13-27(25)37-28-15-14-23(20-26(28)29)31(35)36-2;/h8-9,12-15,20,22,24,29H,3-7,10-11,16-19,21H2,1-2H3;1H