3-[6-oxidanylidene-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]hexyl]quinazolin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]hexyl]quinazolin-4-one Openeye Name: 3-[6-(4-benzylpiperazin-4-ium-1-yl)-6-oxo-hexyl]quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]hexyl]-4-quinazolinone IUPAC Name: 3-[6-(4-benzylpiperazin-4-ium-1-yl)-6-oxohexyl]quinazolin-4-one Traditional Name: 3-[6-(4-benzylpiperazin-4-ium-1-yl)-6-keto-hexyl]quinazolin-4-one Formula: C25H31N4O2+ MolecularWeight: 419.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H30N4O2/c30-24(28-17-15-27(16-18-28)19-21-9-3-1-4-10-21)13-5-2-8-14-29-20-26-23-12-7-6-11-22(23)25(29)31/h1,3-4,6-7,9-12,20H,2,5,8,13-19H2/p+1