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

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-methyl-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-methyl-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-3-methyl-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-3-methyl-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3-methyl-9H-xanthene-9-carboxamide iodide Formula: C30H41IN2O2 MolecularWeight: 588.56321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(C3=CC=CC=C3O2)C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(C3=CC=CC=C3O2)C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C30H40N2O2.HI/c1-22-14-15-26-28(20-22)34-27-13-9-8-12-25(27)29(26)30(33)31-24-16-18-32(2,19-17-24)21-23-10-6-4-3-5-7-11-23;/h8-9,12-15,20,23-24,29H,3-7,10-11,16-19,21H2,1-2H3;1H