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

Systemtic Name: 2-[[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[2-(4-chlorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H22ClN4O3+ MolecularWeight: 413.87738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)COC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4O3/c22-15-5-7-16(8-6-15)29-14-20(27)26-11-9-25(10-12-26)13-19-23-18-4-2-1-3-17(18)21(28)24-19/h1-8H,9-14H2,(H,23,24,28)/p+1