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

Systemtic Name: 2,7-bis(chloranyl)-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: 2,7-dichloro-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: 2,7-dichloro-N-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: 2,7-dichloro-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: 2,7-dichloro-N-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C29H37Cl2N2O2+ MolecularWeight: 516.52228

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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)CC5CCCCCCC5

Isomeric SMILES

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

InChI

InChI=1S/C29H36Cl2N2O2/c1-33(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-33)32-29(34)28-24-17-21(30)9-11-26(24)35-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3/p+1