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

Systemtic Name: 2,7-bis(bromanyl)-N-[1-(cyclooctylmethyl)-1-propyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Openeye Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-propyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide CAS Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-propyl-4-piperidin-1-iumyl]-9H-xanthene-9-carboxamide IUPAC Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-propylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Traditional Name: 2,7-dibromo-N-[1-(cyclooctylmethyl)-1-propyl-piperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide Formula: C31H41Br2N2O2+ MolecularWeight: 633.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40Br2N2O2/c1-2-16-35(21-22-8-6-4-3-5-7-9-22)17-14-25(15-18-35)34-31(36)30-26-19-23(32)10-12-28(26)37-29-13-11-24(33)20-27(29)30/h10-13,19-20,22,25,30H,2-9,14-18,21H2,1H3/p+1