7-chloranyl-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H21Cl2N4O+ MolecularWeight: 404.31294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20Cl2N4O/c21-15-3-1-2-14(10-15)12-25-6-8-26(9-7-25)13-19-23-18-11-16(22)4-5-17(18)20(27)24-19/h1-5,10-11H,6-9,12-13H2,(H,23,24,27)/p+1