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

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-dimethyl-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-dimethyl-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-2,7-dimethyl-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-2,7-dimethyl-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-2,7-dimethyl-9H-xanthene-9-carboxamide iodide Formula: C31H43IN2O2 MolecularWeight: 602.58979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5)C=C(C=C3)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5)C=C(C=C3)C.[I-]

InChI

InChI=1S/C31H42N2O2.HI/c1-22-11-13-28-26(19-22)30(27-20-23(2)12-14-29(27)35-28)31(34)32-25-15-17-33(3,18-16-25)21-24-9-7-5-4-6-8-10-24;/h11-14,19-20,24-25,30H,4-10,15-18,21H2,1-3H3;1H