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

Systemtic Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-[[(1E)-1-cyclononenyl]methyl]-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-[[(1E)-cyclononen-1-yl]methyl]-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Formula: C30H39IN2O2 MolecularWeight: 586.54733

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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=CCCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C/C/5=C/CCCCCCC5.[I-]

InChI

InChI=1S/C30H38N2O2.HI/c1-32(22-23-12-6-4-2-3-5-7-13-23)20-18-24(19-21-32)31-30(33)29-25-14-8-10-16-27(25)34-28-17-11-9-15-26(28)29;/h8-12,14-17,24,29H,2-7,13,18-22H2,1H3;1H/b23-12+;