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

Systemtic Name: methyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-7-methanoyl-9H-xanthene-2-carboxylate iodide Openeye Name: methyl 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-7-formyl-9H-xanthene-2-carboxylate iodide CAS Name: 9-[[[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]amino]-oxomethyl]-7-formyl-9H-xanthene-2-carboxylic acid methyl ester iodide IUPAC Name: methyl 9-[[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]carbamoyl]-7-formyl-9H-xanthene-2-carboxylate iodide Traditional Name: 9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-7-formyl-9H-xanthene-2-carboxylic acid methyl ester iodide Formula: C32H41IN2O5 MolecularWeight: 660.58281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O5.HI/c1-34(20-22-8-6-4-3-5-7-9-22)16-14-25(15-17-34)33-31(36)30-26-18-23(21-35)10-12-28(26)39-29-13-11-24(19-27(29)30)32(37)38-2;/h10-13,18-19,21-22,25,30H,3-9,14-17,20H2,1-2H3;1H