N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]methanamide iodide

Systemtic Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]methanamide iodide Openeye Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]formamide iodide CAS Name: N-[1-[[(1E)-1-cyclooctenyl]methyl]-1-ethyl-4-(1-piperidin-1-iumyl)-9-xanthenyl]formamide iodide IUPAC Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-ylxanthen-9-yl]formamide iodide Traditional Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]formamide iodide Formula: C30H39IN2O2 MolecularWeight: 586.54733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC(=C2C1=C(C3=CC=CC=C3O2)NC=O)[NH+]4CCCCC4)CC5=CCCCCCC5.[I-]

Isomeric SMILES

CCC1(C=CC(=C2C1=C(C3=CC=CC=C3O2)NC=O)[NH+]4CCCCC4)C/C/5=C/CCCCCC5.[I-]

InChI

InChI=1S/C30H38N2O2.HI/c1-2-30(21-23-13-7-4-3-5-8-14-23)18-17-25(32-19-11-6-12-20-32)29-27(30)28(31-22-33)24-15-9-10-16-26(24)34-29;/h9-10,13,15-18,22H,2-8,11-12,14,19-21H2,1H3,(H,31,33);1H/b23-13+;