N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-divinyl-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,7-bis(ethenyl)-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-divinyl-9H-xanthene-9-carboxamide iodide Formula: C33H43IN2O2 MolecularWeight: 626.61119

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)C=C)OC4=C2C=C(C=C4)C=C)CC5CCCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)C=C)OC4=C2C=C(C=C4)C=C)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C33H42N2O2.HI/c1-4-24-13-15-30-28(21-24)32(29-22-25(5-2)14-16-31(29)37-30)33(36)34-27-17-19-35(3,20-18-27)23-26-11-9-7-6-8-10-12-26;/h4-5,13-16,21-22,26-27,32H,1-2,6-12,17-20,23H2,3H3;1H