N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride Openeye Name: N-(2-furylmethyl)-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride CAS Name: N-(2-furanylmethyl)-2-(4-phenyl-1-piperazin-4-iumyl)-4-quinazolinamine chloride hydrochloride IUPAC Name: N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride Traditional Name: 2-furfuryl-[2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-yl]amine chloride hydrochloride Formula: C23H25Cl2N5O MolecularWeight: 458.3835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5.Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CO5.Cl.[Cl-]

InChI

InChI=1S/C23H23N5O.2ClH/c1-2-7-18(8-3-1)27-12-14-28(15-13-27)23-25-21-11-5-4-10-20(21)22(26-23)24-17-19-9-6-16-29-19;;/h1-11,16H,12-15,17H2,(H,24,25,26);2*1H