N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-3-yl-quinazolin-4-amine

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-3-yl-quinazolin-4-amine Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-(3-pyridyl)quinazolin-4-amine CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]-2-(3-pyridinyl)-4-quinazolinamine IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine Traditional Name: [6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl-[2-(3-pyridyl)quinazolin-4-yl]amine Formula: C24H27N7+2 MolecularWeight: 413.51808

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C24H25N7/c1-30-11-13-31(14-12-30)22-9-8-18(15-26-22)16-27-24-20-6-2-3-7-21(20)28-23(29-24)19-5-4-10-25-17-19/h2-10,15,17H,11-14,16H2,1H3,(H,27,28,29)/p+2