N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[(4-fluorophenyl)methyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: (4-fluorobenzyl)-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C24H26FN7+2 MolecularWeight: 431.508543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=C(C=C4)F)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=C(C=C4)F)C5=NC=CC=N5

InChI

InChI=1S/C24H24FN7/c25-19-8-6-18(7-9-19)16-28-23-20-4-1-2-5-21(20)29-22(30-23)17-31-12-14-32(15-13-31)24-26-10-3-11-27-24/h1-11H,12-17H2,(H,28,29,30)/p+2