N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-[[(1E)-1-cyclooctenyl]methyl]-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Formula: C29H37IN2O2 MolecularWeight: 572.52075

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)CC5=CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C/C/5=C/CCCCCC5.[I-]

InChI

InChI=1S/C29H36N2O2.HI/c1-31(21-22-11-5-3-2-4-6-12-22)19-17-23(18-20-31)30-29(32)28-24-13-7-9-15-26(24)33-27-16-10-8-14-25(27)28;/h7-11,13-16,23,28H,2-6,12,17-21H2,1H3;1H/b22-11+;