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

Systemtic Name: N-(phenylmethyl)-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride Openeye Name: N-benzyl-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride CAS Name: N-(phenylmethyl)-2-(4-phenyl-1-piperazin-4-iumyl)-4-quinazolinamine chloride hydrochloride IUPAC Name: N-benzyl-2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-amine chloride hydrochloride Traditional Name: benzyl-[2-(4-phenylpiperazin-4-ium-1-yl)quinazolin-4-yl]amine chloride hydrochloride Formula: C25H27Cl2N5 MolecularWeight: 468.42138

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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=CC=C5.Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=C2)C3=NC4=CC=CC=C4C(=N3)NCC5=CC=CC=C5.Cl.[Cl-]

InChI

InChI=1S/C25H25N5.2ClH/c1-3-9-20(10-4-1)19-26-24-22-13-7-8-14-23(22)27-25(28-24)30-17-15-29(16-18-30)21-11-5-2-6-12-21;;/h1-14H,15-19H2,(H,26,27,28);2*1H