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

Systemtic Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]methanamide iodide Openeye Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]formamide iodide CAS Name: N-[1-[[(1E)-1-cyclononenyl]methyl]-1-ethyl-4-(1-piperidin-1-iumyl)-9-xanthenyl]formamide iodide IUPAC Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-ylxanthen-9-yl]formamide iodide Traditional Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-ethyl-4-piperidin-1-ium-1-yl-xanthen-9-yl]formamide iodide Formula: C31H41IN2O2 MolecularWeight: 600.57391

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C=CC(=C2C1=C(C3=CC=CC=C3O2)NC=O)[NH+]4CCCCC4)CC5=CCCCCCCC5.[I-]

Isomeric SMILES

CCC1(C=CC(=C2C1=C(C3=CC=CC=C3O2)NC=O)[NH+]4CCCCC4)C/C/5=C/CCCCCCC5.[I-]

InChI

InChI=1S/C31H40N2O2.HI/c1-2-31(22-24-14-8-5-3-4-6-9-15-24)19-18-26(33-20-12-7-13-21-33)30-28(31)29(32-23-34)25-16-10-11-17-27(25)35-30;/h10-11,14,16-19,23H,2-9,12-13,15,20-22H2,1H3,(H,32,34);1H/b24-14+;