2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-4-oxo-butyl]-1H-quinazolin-4-one CAS Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-4-oxobutyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-4-oxobutyl]-1H-quinazolin-4-one Traditional Name: 2-[4-keto-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]butyl]-1H-quinazolin-4-one Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H30N4O4/c1-32-19-9-11-20(12-10-19)33-18-17-28-13-15-29(16-14-28)24(30)8-4-7-23-26-22-6-3-2-5-21(22)25(31)27-23/h2-3,5-6,9-12H,4,7-8,13-18H2,1H3,(H,26,27,31)/p+1