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

Systemtic Name: methyl 7-bromanyl-9-[[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]carbamoyl]-9H-xanthene-2-carboxylate iodide Openeye Name: methyl 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 methyl ester iodide IUPAC Name: methyl 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 methyl ester iodide Formula: C31H40BrIN2O4 MolecularWeight: 711.46877

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)OC)OC4=C2C=C(C=C4)Br)CC5CCCCCCC5.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C31H39BrN2O4.HI/c1-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31(36)37-2)10-12-27(25)38-28-13-11-23(32)19-26(28)29;/h10-13,18-19,21,24,29H,3-9,14-17,20H2,1-2H3;1H