8-fluoranyl-3-(2-piperazin-4-ium-1-ylethyl)quinazolin-4-one

Systemtic Name: 8-fluoranyl-3-(2-piperazin-4-ium-1-ylethyl)quinazolin-4-one Openeye Name: 8-fluoro-3-(2-piperazin-4-ium-1-ylethyl)quinazolin-4-one CAS Name: 8-fluoro-3-[2-(1-piperazin-4-iumyl)ethyl]-4-quinazolinone IUPAC Name: 8-fluoro-3-(2-piperazin-4-ium-1-ylethyl)quinazolin-4-one Traditional Name: 8-fluoro-3-(2-piperazin-4-ium-1-ylethyl)quinazolin-4-one Formula: C14H18FN4O+ MolecularWeight: 277.317323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCN2C=NC3=C(C2=O)C=CC=C3F

Isomeric SMILES

C1CN(CC[NH2+]1)CCN2C=NC3=C(C2=O)C=CC=C3F

InChI

InChI=1S/C14H17FN4O/c15-12-3-1-2-11-13(12)17-10-19(14(11)20)9-8-18-6-4-16-5-7-18/h1-3,10,16H,4-9H2/p+1