3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-oxo-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]quinazolin-4-one CAS Name: 3-[2-oxo-2-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-4-quinazolinone IUPAC Name: 3-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]ethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]ethyl]quinazolin-4-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N5O2/c27-20(15-26-16-23-19-7-2-1-6-18(19)21(26)28)25-13-11-24(12-14-25)10-8-17-5-3-4-9-22-17/h1-7,9,16H,8,10-15H2/p+1