6-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]-2-methyl-xanthen-9-one dichloride

Systemtic Name: 6-[3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]-2-methyl-xanthen-9-one dichloride Openeye Name: 6-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]-2-methyl-xanthen-9-one dichloride CAS Name: 6-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]propoxy]-2-methyl-9-xanthenone dichloride IUPAC Name: 6-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]-2-methylxanthen-9-one dichloride Traditional Name: 6-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propoxy]-2-methyl-xanthone dichloride Formula: C23H30Cl2N2O5 MolecularWeight: 485.4007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CC[NH+](CC4)CCO)O.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CC[NH+](CC4)CCO)O.[Cl-].[Cl-]

InChI

InChI=1S/C23H28N2O5.2ClH/c1-16-2-5-21-20(12-16)23(28)19-4-3-18(13-22(19)30-21)29-15-17(27)14-25-8-6-24(7-9-25)10-11-26;;/h2-5,12-13,17,26-27H,6-11,14-15H2,1H3;2*1H