(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride

Systemtic Name: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)-[3-oxidanylidene-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride Openeye Name: (7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]ammonium dichloride CAS Name: (7-oxo-1-cyclohepta-1,3,5-trienyl)-[3-oxo-3-[2-(1-piperidin-1-iumyl)ethoxy]propyl]ammonium dichloride IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl)-[3-oxo-3-(2-piperidin-1-ium-1-ylethoxy)propyl]azanium dichloride Traditional Name: (7-ketocyclohepta-1,3,5-trien-1-yl)-[3-keto-3-(2-piperidin-1-ium-1-ylethoxy)propyl]ammonium dichloride Formula: C17H26Cl2N2O3 MolecularWeight: 377.30594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)CC[NH2+]C2=CC=CC=CC2=O.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)CC[NH2+]C2=CC=CC=CC2=O.[Cl-].[Cl-]

InChI

InChI=1S/C17H24N2O3.2ClH/c20-16-8-4-1-3-7-15(16)18-10-9-17(21)22-14-13-19-11-5-2-6-12-19;;/h1,3-4,7-8H,2,5-6,9-14H2,(H,18,20);2*1H