2-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-1H-quinazolin-4-one Formula: C23H26ClN4O3+ MolecularWeight: 441.93054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H25ClN4O3/c24-17-5-7-18(8-6-17)31-16-15-27-11-13-28(14-12-27)22(29)10-9-21-25-20-4-2-1-3-19(20)23(30)26-21/h1-8H,9-16H2,(H,25,26,30)/p+1