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

Systemtic Name: 2,7-bis(chloranyl)-N-[1-(cycloheptylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Openeye Name: 2,7-dichloro-N-[1-(cycloheptylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CAS Name: 2,7-dichloro-N-[1-(cycloheptylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide iodide IUPAC Name: 2,7-dichloro-N-[1-(cycloheptylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Traditional Name: 2,7-dichloro-N-[1-(cycloheptylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide Formula: C28H35Cl2IN2O2 MolecularWeight: 629.40017

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5CCCCCC5.[I-]

Isomeric SMILES

C[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)CC5CCCCCC5.[I-]

InChI

InChI=1S/C28H34Cl2N2O2.HI/c1-32(18-19-6-4-2-3-5-7-19)14-12-22(13-15-32)31-28(33)27-23-16-20(29)8-10-25(23)34-26-11-9-21(30)17-24(26)27;/h8-11,16-17,19,22,27H,2-7,12-15,18H2,1H3;1H