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

Systemtic Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide iodide Openeye Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide iodide CAS Name: N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-3,6-dimethyl-9H-xanthene-9-carboxamide iodide IUPAC Name: N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-3,6-dimethyl-9H-xanthene-9-carboxamide iodide Traditional Name: N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-3,6-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)C(C3=C(O2)C=C(C=C3)C)C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)C)C(=O)NC4CC[N+](CC4)(C)CC5CCCCCCC5.[I-]

InChI

InChI=1S/C31H42N2O2.HI/c1-22-11-13-26-28(19-22)35-29-20-23(2)12-14-27(29)30(26)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