4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C24H23FN5+ MolecularWeight: 400.471323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C24H22FN5/c25-21-9-3-1-6-19(21)17-29-12-14-30(15-13-29)24-20-8-2-4-10-22(20)27-23(28-24)18-7-5-11-26-16-18/h1-11,16H,12-15,17H2/p+1