N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethoxy-9H-xanthene-9-carboxamide iodide

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethoxy-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethoxy-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-3,6-dimethoxy-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-3,6-dimethoxy-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethoxy-9H-xanthene-9-carboxamide iodide Formula: C31H43IN2O4 MolecularWeight: 634.58859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O4.HI/c1-33(21-22-9-7-5-4-6-8-10-22)17-15-23(16-18-33)32-31(34)30-26-13-11-24(35-2)19-28(26)37-29-20-25(36-3)12-14-27(29)30;/h11-14,19-20,22-23,30H,4-10,15-18,21H2,1-3H3;1H