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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H21ClN4O/c21-16-7-5-15(6-8-16)13-24-9-11-25(12-10-24)14-19-22-18-4-2-1-3-17(18)20(26)23-19/h1-8H,9-14H2,(H,22,23,26)/p+1