N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide Openeye Name: N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide CAS Name: N-(1-methyl-1-undecyl-4-piperidin-1-iumyl)-9H-xanthene-9-carboxamide iodide IUPAC Name: N-(1-methyl-1-undecylpiperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide Traditional Name: N-(1-methyl-1-undecyl-piperidin-1-ium-4-yl)-9H-xanthene-9-carboxamide iodide Formula: C31H45IN2O2 MolecularWeight: 604.60567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O2.HI/c1-3-4-5-6-7-8-9-10-15-22-33(2)23-20-25(21-24-33)32-31(34)30-26-16-11-13-18-28(26)35-29-19-14-12-17-27(29)30;/h11-14,16-19,25,30H,3-10,15,20-24H2,1-2H3;1H