N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-2,7-diethyl-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-diethyl-9H-xanthene-9-carboxamide iodide Formula: C33H47IN2O2 MolecularWeight: 630.64295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5)C=C(C=C3)CC.[I-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5)C=C(C=C3)CC.[I-]

InChI

InChI=1S/C33H46N2O2.HI/c1-4-24-13-15-30-28(21-24)32(29-22-25(5-2)14-16-31(29)37-30)33(36)34-27-17-19-35(3,20-18-27)23-26-11-9-7-6-8-10-12-26;/h13-16,21-22,26-27,32H,4-12,17-20,23H2,1-3H3;1H