2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazine-1,4-diium-1-yl]ethanol dichloride

Systemtic Name: 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazine-1,4-diium-1-yl]ethanol dichloride Openeye Name: 2-[4-[4-(2-furylmethylamino)quinazolin-2-yl]piperazine-1,4-diium-1-yl]ethanol dichloride CAS Name: 2-[4-[4-(2-furanylmethylamino)-2-quinazolinyl]-1-piperazine-1,4-diiumyl]ethanol dichloride IUPAC Name: 2-[4-[4-(furan-2-ylmethylamino)quinazolin-2-yl]piperazine-1,4-diium-1-yl]ethanol dichloride Traditional Name: 2-[4-[4-(2-furfurylamino)quinazolin-2-yl]piperazine-1,4-diium-1-yl]ethanol dichloride Formula: C19H25Cl2N5O2 MolecularWeight: 426.3401

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.[Cl-].[Cl-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)C2=NC3=CC=CC=C3C(=N2)NCC4=CC=CO4.[Cl-].[Cl-]

InChI

InChI=1S/C19H23N5O2.2ClH/c25-12-11-23-7-9-24(10-8-23)19-21-17-6-2-1-5-16(17)18(22-19)20-14-15-4-3-13-26-15;;/h1-6,13,25H,7-12,14H2,(H,20,21,22);2*1H