7-bromanyl-N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide

Systemtic Name: 7-bromanyl-N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide Openeye Name: 7-bromo-N9-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide CAS Name: 7-bromo-N9-[1-(cyclooctylmethyl)-1-methyl-4-piperidin-1-iumyl]-9H-xanthene-2,9-dicarboxamide IUPAC Name: 7-bromo-9-N-[1-(cyclooctylmethyl)-1-methylpiperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide Traditional Name: 7-bromo-N'-[1-(cyclooctylmethyl)-1-methyl-piperidin-1-ium-4-yl]-9H-xanthene-2,9-dicarboxamide Formula: C30H39BrN3O3+ MolecularWeight: 569.55296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38BrN3O3/c1-34(19-20-7-5-3-2-4-6-8-20)15-13-23(14-16-34)33-30(36)28-24-17-21(29(32)35)9-11-26(24)37-27-12-10-22(31)18-25(27)28/h9-12,17-18,20,23,28H,2-8,13-16,19H2,1H3,(H2-,32,33,35,36)/p+1