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

Systemtic Name: 2-[[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H23ClN4O2/c22-16-5-7-17(8-6-16)28-14-13-25-9-11-26(12-10-25)15-20-23-19-4-2-1-3-18(19)21(27)24-20/h1-8H,9-15H2,(H,23,24,27)/p+1